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n-acetyl-l-valine

May 20, 2024by admin0

n-acetyl-l-valine structural formula

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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