Alanine (data page)

The complete data for Alanine ()

General information

Chemical formula: C₃H₇N O₂
Molar mass: 89.1 g·mol⁻¹
Systematic name:
(S)-2-aminopropanoic acid
Abbreviations: A, Ala
Synonyms:
2-aminopropanoic acid
{α/2}-aminopropionic acid
AIDS{-}071780
HSDB 1801
NSC 206315

Database data

SMILES: N[C@@]([H])(C)C(O)=O
InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/f/h5H

ATC: N/A

CAS: 338-69-2 (D), 56-41-7 (L)

DrugBank: N/A

EINECS:
206-418-1 (D)^a, 200-273-8 (L)^a

PubChem: 602 (D)^a, 5950 (L)^a

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

IR

NMR

MS
- Masses of main fragments:
Alanine GC-MS spectrum

Phase behavior

Solid properties

ρ_solid: 1.401 g.cm⁻³
T_m: 297 °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: -2.912

pI: 6.00

pK_a: 2.33, 9.71

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 206-418-1 EINECS for D-alanine
^a 200-273-8 EINECS for L-alanine
^a CID 602 from PubChem
^a CID 5950 from PubChem