chempirical

β-Alanine

C3H7NO2CAS 107-95-989.09 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
Density
1.437 g/mL (at −5 °C)
Melting point
200 °C (decomposes)
pKa
10.2
logP
-0.58Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 327 ECHA notifiers. Aggregated from 327 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
107-95-9
SMILES
NCCC(=O)O
InChIKey
UCMIRNVEIXFBKS-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

Weigh it out

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

Names and synonyms

10 names
  • 3-Aminopropanoic acid
  • β-Aminopropionic acid
  • Propanoic acid, 3-amino-
  • 3-Aminopropionic acid
  • Abufene
  • ω-Aminopropionic acid
  • 2-Carboxyethylamine
  • β-Aminopropanoic acid
  • NSC 7603
  • 3-Azaniumylpropanoate

Reactions

Work with β-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

5-Aminovaleric acid660-88-868 % similar 8-Aminooctanoic acid1002-57-965 % similar 11-Aminoundecanoic acid2432-99-765 % similar 6-Aminohexanoic acid60-32-265 % similar 12-Aminododecanoic acid693-57-265 % similar 7-Aminoheptanoic acid929-17-965 % similar Succinic acid110-15-661 % similar 5-Aminovaleric acid hydrochloride627-95-260 % similar

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

Same formula

Sarcosine107-97-1 1-Nitropropane108-03-2 Lactamide2043-43-8 Alanine302-72-7 D-Alanine338-69-2 Ethyl carbamate51-79-6 Isopropyl nitrite541-42-4 Propyl nitrite543-67-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia