L-3-Methylhistidine

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Properties Simple | Detailed

Formula C7H11N3O2
IUPAC Name (2s)-2-azaniumyl-3-(3-methylimidazol-4-yl)propanoate
Molecular Mass 169.181 g·mol−1
Heat of Formation -257.6 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 206.4 Å 3
Surface Area 196.32 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 3.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3-methyl-4-imidazolyl)propanoic acid
  • (2s)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(3-methylimidazol-4-yl)propionic acid
  • 1-methyl-l-histidine (archaic)
  • 3-(1-methylimidazol-5-yl)-l-alanine
  • 3-methyl-l-histidine
  • 3-methylhistidine
  • l-histidine, 3-methyl-
  • n(pi)-methyl-l-histidine
  • pi-methyl-l-histidine
CAS Number(s)
  • 368-16-1
InChIKey JDHILDINMRGULE-LURJTMIESA-N
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