n-m-tolylphthalamine acid n-m-tolylphthalamine acid
structural formula
| business number | 01w6 |
|---|---|
| molecular formula | c15h13no3 |
| molecular weight | 255 |
| label |
3′-methylphthalide, 3′-methylphthalanilic acid, plant growth regulator |
numbering system
cas number:85-72-3
mdl number:none
einecs number:201-626-9
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. physical property data
1. character: uncertain.
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc): unsure
5. boiling point (ºc,normal pressure): unsure
6. boiling point (ºc,5.2kpa): unsure
7. refractive index: unsure
8. flashpoint (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsureoil and water (octanol/log value of partition coefficient for water: uncertain
17. explosion limit (%,v/v): unsure
18. lower explosion limit (%,v/v): unsure
19. solubility: uncertain.
toxicological data
1, acute toxicity:
rat caliber ld50: 5230mg/kg;
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 72.58
2. molar volume (m3/mol）：197.1
3. isotonic specific volume (90.2k):546.6
4. surface tension (dyne/cm):59.1
5. polarizability（10-24cm3):28.77
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.6
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 66.4
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 342
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
font-size: 9pt; font-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>5. molecular property data:
1. molar refractive index: 72.58
2. molar volume (m3/mol）：197.1
3. isotonic specific volume (90.2k):546.6
4. surface tension (dyne/cm):59.1
5. polarizability（10-24cm3):28.77
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.6
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 66.4
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 342
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
9
8. surface charge: 0
9. complexity: 342
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
