chempirical

Alanine

C3H7NO2CAS 302-72-789.09 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C3H7NO2
Molar mass
89.09 g/mol
Exact mass
89.0477 Da
Melting point
300 °C (decomposes)
logP
-0.58Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Not classified as hazardous under GHS by 278 ECHA notifiers. Aggregated from 278 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
302-72-7
SMILES
CC(N)C(=O)O
InChIKey
QNAYBMKLOCPYGJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Alanine, DL-
  • DL-Alanine
  • Dl-2-Aminopropanoic acid
  • DL-α-Alanine
  • (±)-Alanine
  • (±)-2-Aminopropionic acid
  • DL-α-Aminopropionic acid
  • DL-Ala
  • (R,S)-Alanine
  • NSC 7602
  • 2-Amino-propionic acid
  • 2-Aminopropanoic acid

Reactions

Work with Alanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Alanine56-41-7100 % similar L-Alanyl-L-alanine1948-31-855 % similar Dl-alanyl-dl-alanine2867-20-155 % similar D-Alanyl-D-alanine923-16-055 % similar D-Valine640-68-652 % similar Valine72-18-452 % similar Methylmalonic acid516-05-250 % similar Isobutyric acid79-31-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

β-Alanine107-95-9 Sarcosine107-97-1 1-Nitropropane108-03-2 Lactamide2043-43-8 D-Alanine338-69-2 Ethyl carbamate51-79-6 Isopropyl nitrite541-42-4 Propyl nitrite543-67-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook