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/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 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