N-Acetyl-3-Methyl-L-Histidine

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Properties Simple | Detailed

Formula C9H13N3O3
IUPAC Name (2s)-2-acetamido-3-(3-methylimidazol-3-ium-4-ylium-4-yl)propanoic acid
Molecular Mass 211.218 g·mol−1
Heat of Formation -479.9 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 258.97 Å 3
Surface Area 233.31 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-(3-methyl-4-imidazolyl)propanoic acid
  • (2s)-2-acetamido-3-(3-methylimidazol-4-yl)propanoic acid
  • (2s)-2-acetamido-3-(3-methylimidazol-4-yl)propionic acid
  • l-histidine, n-acetyl-3-methyl-
  • n-acetyl-3-methylhistidine
CAS Number(s)
  • 37841-04-6
InChIKey FKTXRTPBUWLETL-QMMMGPOBSA-N
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