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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