Histidine-Betaine

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Properties Simple | Detailed

Formula C9H15N3O2
IUPAC Name (2s)-3-(1h-imidazol-5-yl)-2-(trimethylammonio)propanoate
Molecular Mass 197.234 g·mol−1
Heat of Formation -177.5 ± 16.7 kJ·mol−1
Dipole Moment 11.94 ± 1.08 D
Volume 243.12 Å 3
Surface Area 218.91 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(1h-imidazol-4-yl)-2-(trimethylammonio)propanoate
  • (2s)-3-(3h-imidazol-4-yl)-2-trimethylammonio-propanoate
  • (2s)-3-(3h-imidazol-4-yl)-2-trimethylammonio-propionate
  • (2s)-3-(3h-imidazol-4-yl)-2-trimethylammoniopropanoate
  • (2s)-3-(3h-imidazol-4-yl)-2-trimethylazaniumyl-propanoate
  • (2s)-3-(3h-imidazol-4-yl)-2-trimethylazaniumylpropanoate
  • (s)-alpha-carboxy-n,n,n-trimethyl-1h-imidazole-4-ethanaminium hydroxide, inner salt
  • hercynine
  • n(alpha),n(alpha),n(alpha)-trimethyl-l-histidine
  • nalpha,nalpha,nalpha-trimethyl-l-histidine
CAS Number(s)
  • 534-30-5
InChIKey GPPYTCRVKHULJH-QMMMGPOBSA-N
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