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
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.