Structural formula
| Business number | 0184 |
|---|---|
| Molecular formula | C8H9NO2 |
| Molecular weight | 151.17 |
| label |
p-aminomethylbenzoic acid |
Numbering system
CAS number:56-91-7
MDL number:MFCD00010203
EINECS number:200-297-9
RTECS number:None
BRN number:1100606
PubChem number:24846170
Physical property data
1. Character: Hydrate It is white scaly or crystalline powder. Odorless, slightly bitter taste.
2. Density (g/mL,25/4℃) ： Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 340-350
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: not OK
8. Flash point (ºC): Undetermined
9. Specific optical rotation ( º): Undetermined
10. Spontaneous ignition point or ignition Combustion temperature (ºC): not OK
11. Vapor Pressure (kPa,25ºC): Undetermined
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. Oil and water (octanol /Water) partition coefficient pair Value: Undetermined
17. Explosion upper limit (%,V/V): not OK
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: soluble In boiling water, slightly soluble in water, almost insoluble in ethanol, benzene and chloroform.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 41.63
2. Molar volume (m3/mol）：121.9
3. isotonic specific volume (90.2K):335.2
4. Surface tension (dyne/cm）：57.1
5. Polarizability（10-24cm3):16.50
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 63.3
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 139
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
This product should be kept sealed.
Synthesis method
There are three processes: (1) is derived from the catalytic hydrogenation of p-cyanobenzoic acid; (2) aminated from p-chloromethylbenzoic acid And get; (3) is derived from the amination of p-bromomethylbenzoic acid.
Purpose
Organic synthesis intermediates. Hemostatic drugs and fibrinolytic inhibitors are suitable for various diseases caused by excessive fibrinolytic enzyme activity.
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