Structural formula
| Business number | 02BH |
|---|---|
| Molecular formula | C7H13NO3 |
| Molecular weight | 159.18 |
| label |
L-2acetamido-3-methylbutyric acid, N-acetyl-L-andrographis amino acid, L-2-Acetamido-3-methylbutyric acid |
Numbering system
CAS number:96-81-1
MDL number:MFCD00066066
EINECS number:202-537-8
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Character: white crystal
2. Density (g/mL, 20?): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point ( ºC, KPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation (º): -16–20
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): 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: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 39.58
2. Molar volume (cm3/mol): 145.3
3. Isotonic specific volume (90.2K ): 360.2
4. Surface tension (dyne/cm): 37.6
5. Polarizability (10-24cm3): 15.69
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: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 66.4
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 165
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 1
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
Storage method
Seal and store dry at -0ºC.
Synthesis method
None
Purpose
1. Biochemical research.
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