Alanine (data page)

The complete data for Alanine

General information

Chemical formula: C3H7NO2 
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
ρsolid: 1.401 g.cm−3
Tm: 297 °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: -2.912pI: 6.00pKa: 2.33, 9.71Tautomers: 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 206-418-1 EINECS for D-alanine
  2. ^a 200-273-8 EINECS for L-alanine
  3. ^a CID 602 from PubChem
  4. ^a CID 5950 from PubChem
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