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4-Aminomethylbenzoic acid

4-aminomethylbenzoic acid structural formula

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. Polarizability10-24cm3):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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