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Substance Name: beta-Alanine
RN: 107-95-9
UNII: 11P2JDE17B
InChIKey: UCMIRNVEIXFBKS-UHFFFAOYSA-N

Note

  • An amino acid formed in vivo by the degradation of dihydrouracil and carnosine. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, the compound may be a false transmitter replacing GAMMA-AMINOBUTYRIC ACID. A rare genetic disorder, hyper-beta-alaninemia, has been reported.

Molecular Formula

  • C3-H7-N-O2

Molecular Weight

  • 89.0933
 
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Names and Synonyms

Name of Substance

  • beta-Alanine

MeSH Heading

  • beta-Alanine

Synonyms

  • 2-Carboxyethylamine
  • 3-Aminopropanoic acid
  • 3-Aminopropionsaeure
  • Abufene
  • AI3-18470
  • beta Alanine
  • beta-Alanine
  • beta-Aminopropionic acid
  • beta-Aminopropionsaeure
  • EC 203-536-5
  • EINECS 203-536-5
  • FEMA No. 3252
  • NSC 7603
  • Propanoic acid, 3-amino-
  • UNII-11P2JDE17B

Systematic Name

  • beta-Alanine

Superlist Name

  • Alanine, beta-

Registry Numbers

CAS Registry Number

  • 107-95-9

FDA UNII

  • 11P2JDE17B

Other Registry Number

  • 87867-95-6

Related Registry Numbers

  • 16690-93-0 (mono-hydrochloride salt)
  • 36321-40-1 (calcium (2:1) salt)
  • 39748-53-3 (mono-potassium salt)

System Generated Number

  • 0000107959

Structure Descriptors

InChI

InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

InChIKey

UCMIRNVEIXFBKS-UHFFFAOYSA-N

Smiles

NCCC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 200 dec deg C   EXP
pKa Dissociation Constant 3.63 (none) 5 EXP
log P (octanol-water) -3.05E+00 (none)   EXP
Water Solubility 5.45E+05 mg/L 25 EXP
Vapor Pressure 5.06E-08 mm Hg 25 EST
Henry's Law Constant 7.48E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.31E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.