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