nialamide nialamide
structural formula
| business number | 014f |
|---|---|
| molecular formula | c16h18n4o2 |
| molecular weight | 298.34 |
| label |
nicotinamide, nialamine, n-benzyl-β-(isonicotinylhydrazino)propionamide, pyridine-4-carboxylic 2-[2-(benzylcarbamoyl)ethyl]hydrazide, n-isonicotinoyl-n’-[β-(n-benzylcarboxamido)ethyl]hydrazine |
numbering system
cas number:51-12-7
mdl number:mfcd00010106
einecs number:200-079-3
rtecs number:ns1225000
brn number:492941
pubchem number:24278185
physical property data
1. properties: white crystalline powder. slightly bitter taste.
2. density (g/ml, 25/4℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 152～153
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific rotation (º): undetermined determined
10. autoignition point or ignition temperature (ºc): not determined
11. vapor pressure (kpa, 25ºc): not determined
12. saturated 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: easily soluble in acidic solvents, slightly soluble in water.
toxicological data
1. acute toxicity: rat oral ld50: 1700mg/kg; rat abdominal ld50: 760mg/kg; mouse oral ld50: 590mg/kg; mouse abdominal ld50: 200mg/kg; rabbit abdominal ld50: >150 mg /kg2. other multi-dose toxicity: rat oral tdlo: 54600mg/kg26w-c3. reproductive toxicity: female mouse subcutaneous tdlo: 5045mg/kg, conception after 6 days 4. mutagenicity: mutation microorganismstest system: bacteria-typhimurium salmonella: 10ug/plate; dna repairtest system: bacteria – e. coli: 27umol/plate; mutation test system – not other specifiedtest systems bacteria – bacillus subtilis: 10mmol/l; dna damage: mouse peritoneal cavity: 2450umol/kg; sister chromosome exchange: mouse abdominal cavity: 435mg/kg
ecologydata
none
molecular structure data
1. molar refractive index: 83.57
2. molar volume (cm3/mol): 247.9
3. isotonic specific volume (90.2k ): 667.0
4. surface tension (dyne/cm): 52.3
5. polarizability (10-24cm3): 33.13
compute chemical data
1. hydrophobic parameter calculation reference value (xlogp): 0.9
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 7
5. number of tautomers: 6
6. topological molecular polar surface area (tpsa): 83.1
7. number of heavy atoms: 22
8. surface charge: 0
9. complexity: 350
10. number of isotope atoms : 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the chemical bond configuration number of centers: 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 with argon gas and stored below 0℃.
synthesis method
prepared from isonicotinic hydrazide as raw material.
purpose
ammonia oxidase (mao) inhibitor. medicine (antidepressants).
this product is a monoamine oxidase inhibitor with the same effects, clinical uses and adverse reactions as phenelzine. used to treat various forms of depression, anxiety, and phobias, as well as for sore throats.
