BDMAEE – Page 2 – Bis (2-Dimethylaminoethyl) Ether

3-iodo-L-tyrosine

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	01GB
Molecular formula	C9H10INO3
Molecular weight	307.09
label	3-iodo-L-phenylaminopropionic acid, 3-Monoiodo-L-tyrosine, IC6H3-4-(OH)CH2CH(NH2)CO2H

Numbering system

CAS number:70-78-0

MDL number:MFCD00002608

EINECS number:200-744-8

RTECS number:None

BRN number:2941266

PubChem ID:None

Physical property data

1. Properties: white crystal. It is unstable to light and releases iodine. Sensitive to air.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 204~206℃ (decomposition)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, normal pressure) 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation ( º): [α]D20 -4.4° (C=5, in 1mol/L hydrochloric acid)

10. Autoignition point or ignition temperature (ºC): Undetermined

11 . Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water) Log value of distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: soluble in 15 parts of boiling water, soluble in dilute alkali, slightly soluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 60.28

2. Molar volume (cm³/mol): 157.9

3. Isotonic specific volume (90.2K ): 462.4

4. Surface tension (dyne/cm): 73.5

5. Polarizability (10-24cm3): 23.89

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1.1

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

p>

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA): 83.6

7.Number of heavy atoms: 14

8, Surface charge: 0

9, Complexity: 212

10, Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bonding units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place below 0℃ and protected from light.

Synthesis method

None

Purpose

Used in biochemical research as an inhibitor of tyrosine hydroxylase.

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4′-Hydroxypropiophenone

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	01GA
Molecular formula	C9H10O2
Molecular weight	150.18
label	p-Hydroxypropiophenone, 4-Hydroxypropiophenone, p-propionylphenol, Hydrolyzed polyacrylamide, HOC6H4COC2H5

Numbering system

CAS number:70-70-2

MDL number:MFCD00002361

EINECS number:200-743-2

RTECS number:UH1925000

BRN number:907511

PubChem ID:None

Physical property data

1. Character: white needle-like or prismatic crystal

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density ( g/mL, air=1): Uncertain

4. Melting point (ºC): 36-38(lit.)

5. Boiling point (ºC, normal pressure): Not available Confirm

6. Boiling point (ºC, 26mmHg): 152-154(lit.)

7. Refractive index: Uncertain

8. Flash point ( ºF): >230

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil and water (octanol/ Log value of the partition coefficient (water): Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Slightly soluble in water (0.34 g/l, 15 ºC), easily soluble in boiling water, miscible with alcohol and ether

Toxicological data

Acute toxicity: rat oral LD: >500 mg/kg; mouse intraperitoneal LD50: 200 mg/kg; mouse subcutaneous injection LD50: 1130 ug/kg; kg; breeding: rat intramuscular TDLo: 1600 mg/kgSEX/DURATION: female 15-30 day(s) after conception;

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.79

2. Molar volume (cm³/mol): 135.9

3. Isotonic specific volume (90.2K ): 347.2

4. Surface tension (dyne/cm): 42.6

5. Polarizability (10-24cm3): 16.96

Computing chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 7

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 135

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry and dark place.

Synthesis method

Add anhydrous aluminum trichloride to carbon disulfide, stir, and add phenyl propionate dropwise. The reaction occurs immediately and hydrogen chloride is released. The carbon disulfide refluxes due to the heat generated by the reaction. After the dropwise addition is completed, the reaction mixture is heated to reflux for 2 hours until hydrogen chloride no longer escapes. The carbon disulfide is evaporated, the temperature is raised to 140-150°C and kept for 3 hours, and hydrogen chloride is released. The resulting resinous substance is cooled, and hydrochloric acid and water are slowly added to decompose the aluminum double salt. Place in the refrigerator overnight, filter, and recrystallize the filter cake with methanol to obtain p-hydroxypropiophenone, with a yield of 34-39%.

Purpose

Organic synthesis. Used as liquid crystal raw materials and intermediates.

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p-toluenesulfonamide

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	01G8
Molecular formula	C7H9NO2S
Molecular weight	171.22
label	4-Toluenesulfonamide, To sulfonamide, Toluene-4-sulfonamide, Toluenesulfonamide, p-sulfonamide toluene, 4-Toluene sulfonamide, On sulfonamide, Toluene-4-sulfonamide, Toluene sulfonamide, On ammonia toluene sulfonyl, Toughening agent, aromatic sulfur compounds

Numbering system

CAS number:70-55-3

MDL number:MFCD00011692

EINECS number:200-741-1

RTECS number:XT5075000

BRN number:472689

PubChem number:24854164

Physical property data

1. Character: White flake or leaf-like crystal

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density ( g/mL, air=1): Uncertain

4. Melting point (ºC): 138.5～139

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 10mmHg): 221

7. Refractive index: Uncertain

8. Flash point (ºC): 202

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16 . The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (% ,V/V): Uncertain

19. Solubility: Soluble in ethanol, insoluble in water (0.32 g/100 mL, 25 º C) and ether.

Toxicological data

Acute toxicity: mouse intraperitoneal LC50: 250 mg/kg; subcutaneous injection of LDLo in guinea pigs: 2 mg/kg; oral LD50 of wild birds: 75 mg/kg; mutagenicity: Salmonella microbial changes test system: 40 umol/plate;

Ecological data

None

Molecular structure data

1. Molar refractive index: 43.81

2. Molar volume (cm³/mol): 134.6

3. Isotonic specific volume (90.2K ): 351.2

4. Surface tension (dyne/cm): 46.3

5. Polarizability (10-24cm3): 17.36

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 68.5

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 209

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Storage method

1. Packed in an inner plastic bag, an outer woven bag or an inner plastic bag, a middle layer of kraft paper bag, and an outer woven bag. Handle it with care during storage and transportation, and protect it from moisture and heat. Store and transport according to regulations for flammable and toxic substances. 2. This product should be stored in a sealed, cool and dry place.

Synthesis method

1. Obtained from the reaction of p-toluenesulfonyl chloride and ammonia. Process flow: first put an appropriate amount of ice water into the amination pot, and then mix it according to the mass Ratio (p-toluenesulfonyl chloride: pure ammonia = 1:0.2). Put the measured p-toluenesulfonyl chloride and ammonia water into the pot in sequence, start the stirrer, and use the cold liquid in the amination pot jacket to control the temperature in the pot to about 70°C. (This reaction generates a lot of heat), then lower the temperature to about 30°C and discharge the material. Put the amination into a filter bucket and filter, wash with warm water, and blot dry to obtain solid powdery crude p-toluenesulfonamide. Crude p-toluenesulfonamide contains a small amount of o-toluene sulfonamide by-product, oily colored substance. The purpose of purification and refining can be achieved by utilizing the property of para-amine to be easily soluble in sodium hydroxide solution and using activated carbon for decolorization. The material mass ratio is crude para-amine: 30% sodium hydroxide, liquid alkali: water = 100: 45: 1300; crude para-amine: activated carbon = 100: (2.5-3.5). Put the water and caustic soda into the purification pot according to the formula amount, open the jacketed steam valve and heat it to 70°C, then add the formula amount of crude para-amine, start the rear stirrer, and wait until the crude para-amine is completely dissolved. Add the formula amount of activated carbon, continue stirring for 0.5h, put the material liquid into the filter barrel, filter it with heat, wash it with hot water, and suck it dry. The filtrate is immediately poured into the refining pot, neutralized with hydrochloric acid to PH value = 2-3, and cooled to about 30-35°C. The material liquid is put into a filter barrel to filter, then washed with water until neutral, moved to a centrifuge and centrifuged to dry, that is It is a finished product containing 10% water. If a dry product is required, it is sent to an air flow dryer for drying to obtain a finished p-toluenesulfonamide product containing 1% water. 2. For p-toluenesulfonyl chloride and Pure ammonia was added to the ice water in sequence, and the mass ratio of p-toluenesulfonyl chloride and pure ammonia was controlled to be 1:0.2. The reaction was carried out under stirring, and the temperature was cooled and controlled to 70°C. After the reaction is completed, After cooling, filtering and washing, the crude product is obtained. The crude product is subjected to alkali washing, decolorization, water washing, neutralization, filtration, water washing and drying to obtain the finished product.

Purpose

1. Used in organic synthesis. p-Toluenesulfonamide is mainly used in the synthesis of chloramine-T and chloramphenicol (Tevenel). 2. Used for synthesizing fluorescent dyes, manufacturing plasticizers, synthetic resins, coatings, disinfectants and wood processing brighteners, etc. 3. Mainly used as a toughening agent for the synthesis of water-soluble melamine formaldehyde resin. 4.Used as primary brightener in bright nickel plating. Used for bright multi-layer nickel plating to make the coating bright and uniform. The general dosage is 0.2~0.3g/L.

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DL-lysine

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	01G7
Molecular formula	C6H14N2O2
Molecular weight	146.19
label	DL-2,6-diaminocaproic acid, Tetracyanoethylene, DL-lysine monohydrate

Numbering system

CAS number:70-54-2

MDL number:MFCD00064432

EINECS number:200-740-6

RTECS number:None

BRN number:1616991

PubChem number:24896317

Physical property data

1. Properties: colorless crystals

2. Density (g/mL, 25/4℃): 1.12

3. Relative vapor density (g/mL, Air=1): Uncertain

4. Melting point (ºC): 170 (dec.)(lit.)

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure ( kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) partition coefficient relationship Value: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: soluble in water, slightly soluble in ethanol, insoluble in ether

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.43

2. Molar volume (cm³/mol): 129.9

3. Isotonic specific volume (90.2K ): 348.1

4. Surface tension (dyne/cm): 51.5

5. Polarizability (10-24cm3): 15.23

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 89.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 106

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed, cool and dry.

Synthesis method

It can be extracted from the protein hydrolyzate produced by co-heating of protein and alkali or produced by organic synthesis using dihydropyran as raw material. The resulting product is DL-lysine. In fact, it is the same amount. A mixture of D-lysine molecules and L-lysine molecules are optical isomers of each other.

Purpose

Lysine is a key substance that helps other nutrients be fully absorbed and utilized by the human body. Only by supplementing enough L-lysine can the human body improve the absorption and utilization of food protein, achieve balanced nutrition, and promote growth and development.

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6-Methylmercaptopurine

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	013Z
Molecular formula	C6H6N4S
Molecular weight	166.2
label	6-Methylmercaptopurine, 6-(Methylthio)purine, 6-(methylthio)purine, 6-Methylmercaptopurine

Numbering system

CAS number:50-66-8

MDL number:MFCD00005576

EINECS number:200-057-3

RTECS number:UO8976000

BRN number:7695

PubChem ID:None

Physical property data

1. Properties: Uncertain

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air =1): Uncertain

4. Melting point (ºC): 219-223 °C

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific optical rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC) : Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain OK

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Uncertain

Toxicological data

1. Acute toxicity: mouse parenteral LD50: 115mg/kg; mouse LD10: 94mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 44.26

2. Molar volume (cm³/mol): 112.8

3. Isotonic specific volume (90.2K ): 348.9

4. Surface tension (dyne/cm): 91.4

5. Polarizability (10-24cm3): 17.54

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 79.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 143

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

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Chloroquinine diphosphate

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	013Y
Molecular formula	C18H26N3Cl·2H3PO4
Molecular weight	515.86
label	7-Chloro-4-(4-diethylamino-1-methylbutylamino)quinoline diphosphate, Quinoline chloride phosphate, Chloroquine Phosphate, Chloroquine diphosphate, Chloroquine diphosphate, (+/-)-Chloroquine Diphosphate, (+/-)-Chloroquine Diphosphate Salt, Chloroquine bis(phosphate), 1,4-Pentanediamine,N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-,phosphate (1:2), N4-(7-Chloro-4-quinolinyl)-N1,N1

Numbering system

CAS number:50-63-5

MDL number:MFCD00069852

EINECS number:200-055-2

RTECS number:VB2450000

BRN number:4223142

PubChem number:24278090

Physical property data

1. Character:Colorless crystal. Bitter

2. Density (g/mL ,25/4℃): Undetermined

3. Relative vapor density (g /mL,AIR= 1): Undetermined

4. Melting point (ºC):193～195℃(215～218℃) .

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point ( ºC, 5.2 kPa): Undetermined

7. Refractive index:Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º ): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25 ºC): Not OK

12. Saturated vapor pressure (kPa ,60 ºC): Undetermined

13. Heat of combustion (KJ/ mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/ Log value of partition coefficient for water: undetermined

17. Explosion limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility:Easily soluble in water (1%Aqueous solutionpHapproximately4.5, less soluble when neutral or alkaline). Almost insoluble in ethanol, benzene, chloroform and ether.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 7

3. Number of hydrogen bond acceptors: 11

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: 3

6. Topological molecule polar surface area 184

7. Number of heavy atoms: 32

8. Surface charge: 0

9. Complexity: 359

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None

Storage method

This product is sealed and stored in a dry place away from light.

Synthesis method

4,7-Chloroquinoline and2-Amino -5Condensation of diethylaminopentane gives chloroquine .

Purpose

Used as an antimalarial drug.

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DL-lysine hydrochloride

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	01G6
Molecular formula	C6H14N2O2
Molecular weight	182.65
label	DL-2,6-diaminocaproic acid hydrochloride, DL-2,6-Diaminohexanoic acid monohydrochloride, NH2(CH2)4CH(NH2)COOH · HCl, amino acids, pharmaceutical intermediates, Amino acid salt

Numbering system

CAS number:70-53-1

MDL number:MFCD00064563

EINECS number:200-739-0

RTECS number:None

BRN number:4711993

PubChem number:24896425

Physical property data

1. Appearance: White crystalline powder

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, Air=1): Uncertain

4. Melting point (ºC): 260-2635. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa , 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15 . Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V ): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: soluble in water, slightly soluble in methanol, almost insoluble in benzene, Ether and chlorinated hydrocarbons.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.43

2. Molar volume (cm³/mol): 129.9

3. Isotonic specific volume (90.2K ): 348.1

4. Surface tension (dyne/cm): 51.5

5. Polarizability (10-24cm3): 15.23

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 89.3

7. Number of heavy atoms: 11

8.Surface charge: 0

9. Complexity: 106

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters :0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

This product should be sealed, cool, dry and protected from light.

Synthesis method

None

Purpose

For biochemical research.

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Oxytocin

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	013X
Molecular formula	C43H66N12O12S2
Molecular weight	1007.2
label	N-Benzyloxycarbonyl-S-benzyl cysteinyl tyrosyl isoleucyl glutaminyl asparaginyl (S-benzyl) cysteinyl prolyl, oxytocin, A-Hypophamine, Oxytocic hormone, oxytocin

Numbering system

CAS number:50-56-6

MDL number:MFCD00076731

EINECS number:200-048-4

RTECS number:RS7534000

BRN number:3586108

PubChem number:24897975

Physical property data

1. Properties: White amorphous powder with slight odor 2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 192-194°C

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC , 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): -26.2°, C=0.53, DIOXANE

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC ): Undetermined

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in water, soluble in acetone, butanol and dilute acetic acid, insoluble in diethyl ether and petroleum ether

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -2.6

2. Number of hydrogen bond donors: 12

3. Number of hydrogen bond acceptors: 13

p>

4. Number of rotatable chemical bonds: 17

5. Number of tautomers: 1001

6. Topological molecular polar surface area (TPSA): 400

7. Number of heavy atoms: 69

8. Surface charge: 0

9. ��Hurility: 1870

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 9

12. Uncertain atomic stereocenter Number of stereocenters of chemical bonds: 0

13. Number of stereocenters of determined chemical bonds: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Total Number of price key units: 1

Properties and stability

None

Storage method

Brown glass bottle with light-sealed packaging. Store in low temperature and dry place.

Synthesis method

1. Both oxytocin and vasopressin are nonapeptides. There is a basic amino acid residue in the vasopressin molecule, and their isoelectric points are different. The isoelectric point of oxytocin is 7.7 and that of vasopressin is 10.9, which means that vasopressin is highly alkaline. When the extract containing these two hormones is passed into an artificial zeolite column, vasopressin easily forms positively charged ions and most of them are adsorbed, while oxytocin flows out through the zeolite column. The effluent oxytocin solution can be treated with bentonite to obtain purer oxytocin.

Extraction of posterior pituitary gland dry powder ↓water separation ↓zeolite column to remove impurity protein ↓acetic acid

Bentonite adsorption ↓bentonite desorption ↓oxytocin acetate

The pituitary gland Add 100g of dry leaf powder and about 30g of quartz powder into 1.4L of distilled water, grind in a ball mill and extract for 45 minutes, centrifuge, and collect the supernatant. Add 1.4L, 1.3L, and 1.3L of water to the residue and extract 3 more times according to the above method. Combine the supernatants from 4 times of centrifugation. Add 1500g of the treated artificial zeolite to 20L of 0.25% acetic acid solution, stir and put it into the exchange column. When the 0.25% acetic acid solution in the exchange column drops to 2 to 3cm below the surface of the zeolite, immediately add the extraction solution and adjust the flow rate appropriately. , collect the white turbid liquid that begins to flow out of the adsorption column. When the liquid level of the extraction liquid drops to the surface of the zeolite, add distilled water immediately, and stop collecting when the turbid liquid flows out. The extract solution flowing through the zeolite was adjusted to pH=3.5 with glacial acetic acid, then rapidly heated to 95°C in a water bath for 3 minutes, cooled immediately, and placed in a cold room at 0 to 5°C overnight. Filter the next day to get a clear filtrate. Then, add the previously treated 10% bentonite slurry (usually 3ml per 100ml) to the filtrate while stirring, and stir continuously for 1 hour. The supernatant should be checked for complete adsorption (check with 20% sulfosalicylic acid solution, it should be No precipitation occurs), if the adsorption is incomplete, additional bentonite slurry should be added for adsorption. The 2 bentonite precipitations merged. The bentonite was then desorbed with 1% acetic acid solution. The total dosage is 5L and desorbed in 4 times. The dosages are 1.6L, 1.4L, 1.2L and 0.8L respectively. The 4 desorption liquids are combined. Determine the content of oxytocin and vasopressin in the desorption solution, and calculate the oxytocin potency. If the vasopressin does not exceed the limit, the oxytocin solution is obtained.

Purpose

1. It has a stimulating effect on smooth muscles and can cause the contraction of uterine smooth muscles, so it has an oxytocin effect. It can be used to induce labor, induce labor and uterine bleeding caused by weak uterine contractions after abortion. Intranasal instillation can promote milk excretion. It also has a slight hemostatic effect.

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DL-mercaptosuccinic acid

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	01G5
Molecular formula	C4H6O4S
Molecular weight	150.15
label	Thiomalic acid, thiomalic acid, Mercaptosuccinic acid, Thiosuccinic acid, Thiomalic acid, HOOCCH(SH)CH2COOH

Numbering system

CAS number:70-49-5

MDL number:MFCD00004860

EINECS number:200-736-4

RTECS number:WM8225000

BRN number:1099858

PubChem number:24889100

Physical property data

1. Properties: colorless crystals or white powder. There is an odor of sulfide

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 149-1505. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7 . Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain Determine

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa ): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Easily soluble in water, alcohol, ether and acetone, almost insoluble in benzene

Toxicological data

Acute toxicity: mouse abdominal LD50: 200 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 31.56

2. Molar volume (cm³/mol): 98.2

3. Isotonic specific volume (90.2K ): 284.1

4. Surface tension (dyne/cm): 69.9

5. Polarizability (10-24cm3): 12.51

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.4

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 75.6

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 133

10. Number of isotope atoms: 0

11. Determine the atomic stereocenter Quantity: 0

12. Uncertain number of atomic stereocenters: 1

13. Determined number of chemical bond stereocenters: 0

14. Uncertain chemical bonds Number of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed, cool, dry and protected from light.

Synthesis method

Hydration of maleic anhydride produces maleic acid, which is then reacted with hydrogen sulfide to produce this product. For laboratory preparation, 23.2g malic acid and 20g thioacetic acid can be dissolved in 80ml ethyl acetate and refluxed for 1 hour. After cooling, add 400 ml of benzene to extract, add activated carbon for decolorization, filter to remove the carbon, and recover benzene to obtain crude product. After purification, 32g of acetylthiomalic acid was obtained, with a melting point of 126°C. Further hydrolysis yields mercaptosuccinic acid.

Purpose

This product is the main component of cold perm and is also used in complex concealment, biochemical research, heavy metal detoxifier and rubber industry.

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L-(+)-anhydrous asparagine

Published by BDMAEE on 2024-04-24 | Permalink

Structural formula

Business number	01G4
Molecular formula	C4H8N2O3
Molecular weight	132.12
label	biochemical reagents, Intermediates

Numbering system

CAS number:70-47-3

MDL number:MFCD00064401

EINECS number:200-735-9

RTECS number:None

BRN number:1723527

PubChem number:24860328

Physical property data

1. Properties: white crystal. Odorless. Soluble in acid and alkali solutions, slightly soluble in water, almost insoluble in ethanol, ether, methanol and benzene.

2. Density (g/mL, 25/4℃): (d15/4) 1.404

3. Relative vapor density (g/mL, air=1): Not available Determined

4. Melting point (ºC): 234-235

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, normal pressure) 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation ( º): [a] 20/D+20.0° (in 1mol/L hydrochloric acid), -9.3° (in 1mol/L sodium hydroxide).

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% , V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in acid and alkali solutions, slightly soluble In water, almost insoluble in ethanol, ether, methanol and benzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 29.20

2. Molar volume (cm³/mol): 94.0

3. Isotonic specific volume (90.2K ): 273.6

4. Surface tension (dyne/cm): 71.6

5. Polarizability (10-24cm3): 11.57

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -3.4

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

p>

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 106

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 134

10. Isotopic elementNumber of subunits: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14, Number of uncertain chemical bond stereocenters: 0

15, Number of covalent bond units: 1

Properties and stability

1. Exists in flue-cured tobacco leaves, burley tobacco leaves and smoke.

Storage method

Stored sealed and protected from light.

Synthesis method

1. Aspartic acid is produced by acetylation.

2. Extracted from natural products.

Purpose

1. Microbial culture. Peptide synthesis. Test aminotransferase substrate. Tuberculosis culture. Preparation of biological culture media.

2.For the treatment of female breast lobular hyperplasia and gynecomastia.

3. It is used in microbial culture, sewage treatment, and raw materials for polypeptide synthesis. It is one of the components that constitute protein.

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