Alanine (data page)

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The complete data for Alanine
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L-alanine-skeletal.svg L-alanine-3D-sticks.png
General information
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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/A Main hazards:
- N/A
NFPA 704
Flammability (red): no hazard code Health (blue): no hazard code Reactivity (yellow): no hazard code Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point
- N/A
R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -2.912 pI: 6.00 pKa: 2.33, 9.71 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[edit]

  1. ^a 206-418-1 EINECS for D-alanine
  2. ^a 200-273-8 EINECS for L-alanine
  3. ^a PubChem 602
  4. ^a PubChem 5950