Netica Solution

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
 PubChem: 71563 (D)
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
Phase behavior
Solid properties
ρsolid: 1.230 g.cm-3
Tm: 315 °C
Liquid properties
Gas properties
Hazard properties
MSDS N/A
Main hazards:
- N/A
NFPA 704

Flash point
- N/A
R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -2.193
pI: 5.96
pKa: 2.27, 9.52
Tautomers: ?
Hydrogen bond: donor – 2;   acceptor – 3;
Pharmacological [...]