4-Aminomethylbenzoic 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. 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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