4-aminomethylbenzoic acid 4-(aminomethyl)benzoic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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. flashpoint (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

4. surface tension (dyne/cm）：57.1

5. polarizability（10^-24cm³):16.50

calculate 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.

-fareast-language: zh-cn; mso-bidi-language: ar-sa”>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.