Valine (data page)

The complete data for Valine ()

General information

Chemical formula: C₅H₁₁N O₂
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

ρ_solid: 1.230 g.cm⁻³
T_m: 315 °C

Liquid properties

Gas properties

Hazard properties

MSDS

N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

RTECS number:
N/A

Chemical properties

XLogP: -2.193

pI: 5.96

pK_a: 2.27, 9.52

Tautomers:

Hydrogen bond: donor - 2; acceptor - 3

Pharmacological properties

This box:

Except where noted otherwise, data relate to Standard temperature and pressure.
Reliability of data general note.

References

^a 200-773-6 EINECS for Valine
^a CID 71563 from PubChem
^a CID 1182 from PubChem