β-Alanine βine

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Properties Simple | Detailed

Formula C6H13NO2
IUPAC Name 3-(trimethylammonio)propanoate
Molecular Mass 131.173 g·mol−1
Heat of Formation -251.7 ± 16.7 kJ·mol−1
Dipole Moment 17.33 ± 1.08 D
Volume 178.21 Å 3
Surface Area 174.13 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 3-trimethylammoniopropanoate
  • 3-trimethylammoniopropionate
  • 3-trimethylazaniumylpropanoate
  • beta-alaninebetaine
  • trimethylalanine
CAS Number(s)
  • 6458-06-6
InChIKey ACZVSMNFVFBOTM-UHFFFAOYSA-N
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