DL-aspartic acid
Structural formula
| Business number | 06J0 |
|---|---|
| Molecular formula | C4H7NO4 |
| Molecular weight | 133.10 |
| label |
2-aminosuccinic acid, DL-aspartic acid, DL-Aminosuccinic acid, aspartic acid, 2-Aminobutanedioic acid, Aspartate, Intermediates |
Numbering system
CAS number:617-45-8
MDL number:MFCD00063083
EINECS number:210-513-3
RTECS number:CI9097800
BRN number:774618
PubChem number:24891394
Physical property data
1. Properties: white monoclinic prismatic crystal.
2. Density (g/mL, 25/4℃): (d12.5/12.5) 1.514
3. Relative vapor density (g/mL, air=1) : Undetermined
4. Melting point (ºC): 338-339 (278-280)
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
10. Autoignition point or ignition temperature (ºC): Undetermined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in water, insoluble in ethanol and ether.
Toxicological data
None
Ecological data
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 27.20
2. Molar volume (cm3/mol): 87.8
3. Isotonic specific volume (90.2K): 261.3
4. Surface tension (dyne/cm): 78.2
5. Polarizability (10-24cm3): 10.78
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): -2.8
2. Number of hydrogen bond donors: 3
3. Hydrogen bonds Number of receptors: 5
4, rotatableNumber of chemical bonds: 3
5. Topological molecular polar surface area (TPSA): 101
6. Number of heavy atoms: 9
7. Surface charge : 0
8. Complexity: 133
9. Number of isotope atoms: 0
10. Determine the number of atomic stereocenters: 0
11. The number of uncertain atomic stereocenters: 1
12. The number of determined chemical bond stereocenters: 0
13. The number of uncertain chemical bond stereocenters: 0
14. Number of covalent bond units: 1
Properties and stability
1. The product may not decompose under normal temperature and pressure.
2. Exist in tobacco leaves and smoke.
Storage method
Seal the secret container, store it in a sealed main container, and place it in a cool, dry place. <
Synthesis method
None
Purpose
None
