Valine (data page)

The complete data for Valine

General information

Chemical formula: C5H11NO2 
Molar mass: 117.15 g·mol−1
Systematic name:
(S)-2-amino-3-methyl-butanoic acid
Abbreviations: V, Val
Synonyms:
none
Database data
SMILES: CC(C)C(N)C(=O)O
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/f/h7H
 ATC: N/A CAS: 72-18-4 DrugBank: N/A EINECS:
200-773-6 a		 PubChem: 71563 (D)a, 1182 (L)a
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
- Masses of main fragments:
GMD MS Spectrum
Phase behavior
Solid properties
ρsolid: 1.230 g.cm−3
Tm: 315 °C
Liquid properties
Gas properties
Hazard properties
MSDS N/AMain hazards:
- N/A
NFPA 704
Flammability (red): no hazard codeHealth (blue): no hazard codeReactivity (yellow): no hazard codeSpecial hazards (white): no code
Flash point
- N/A
 R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -2.193pI: 5.96pKa: 2.27, 9.52Tautomers: Hydrogen bond: donor - 2;  acceptor - 3
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References
  1. ^a 200-773-6 EINECS for Valine
  2. ^a CID 71563 from PubChem
  3. ^a CID 1182 from PubChem
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