3-Aminopropanoyl 1-Methyl-L-Histidinate

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Properties Simple | Detailed

Formula C10H16N4O3
IUPAC Name 3-aminopropanoyl (2s)-2-amino-3-(3-methyl-4h-imidazol-3-ium-4-ylium-5-yl)propanoate
Molecular Mass 240.259 g·mol−1
Heat of Formation -380.8 ± 16.7 kJ·mol−1
Dipole Moment 9.07 ± 1.08 D
Volume 293.83 Å 3
Surface Area 269.12 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(1-methyl-4-imidazolyl)propanoic acid (3-amino-1-oxopropyl) ester
  • (2s)-2-amino-3-(1-methylimidazol-4-yl)propionic acid 3-aminopropanoyl ester
  • 3-aminopropanoyl (2s)-2-amino-3-(1-methylimidazol-4-yl)propanoate
  • balenine
  • l-histidine, n-beta-alanyl-1-methyl-
  • n(beta)-alanyl-1-methyl-histidine
  • n-beta-ala-1-methyl-his
  • nbeta-alanyl-1-methyl-histidine
  • nbeta-alanyl-1-methyl-l-histidine
CAS Number(s)
  • 501-11-1
  • 331-38-4
InChIKey QAWKDPXGVJMDHM-QMMMGPOBSA-N
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