p-Aminohippuric acid p-Aminohippuric acid

Structural formula

Business number	01C2
Molecular formula	C9H10N2O3
Molecular weight	194.19
label	4-aminohippuric acid, 4-Aminobenzoylglycine, N-(para-aminobenzoyl)aminoacetic acid, 4-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(4-Aminobenzoyl)aminoaceticacid

• 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:61-78-9

MDL number:MFCD00007890

EINECS number:200-518-9

RTECS number:None

BRN number:1213676

PubChem number:24890544

Physical property data

1. Properties: Colorless needle-like crystals.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 198-199

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit ( %, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in dilute hydrochloric acid and alkali solutions , soluble in ethanol, benzene, chloroform and acetone, insoluble in ether and carbon tetrachloride.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 50.30

2. Molar volume (cm³/mol): 143.1

3. Isotonic specific volume (90.2K ): 407.8

4. Surface tension (dyne/cm): 65.8

5. Polarizability (10^-24cm³): 19.94

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 5

6. Topological moleculesSexual surface area 92.4

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 222

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Discoloration when exposed to light.

Storage method

Stored sealed and protected from light.

Synthesis method

None yet

Purpose

1. Organic synthesis. Biochemical research. Kidney function diagnostic agent.