N-Acetyl-L-Histidine

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Properties Simple | Detailed

Formula C8H11N3O3
IUPAC Name (2s)-2-acetamido-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid
Molecular Mass 197.191 g·mol−1
Heat of Formation -470.6 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 233.61 Å 3
Surface Area 220.45 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-acetamido-3-(3h-imidazol-4-yl)propionic acid
  • histidine, n-acetyl-, l- (8ci)
  • l-histidine, n-acetyl- (9ci)
  • n(2)-acetyl-l-histidine
  • n-acetylhistidine
  • n2-acetylhistidine
CAS Number(s)
  • 2497-02-1
InChIKey KBOJOGQFRVVWBH-ZETCQYMHSA-N
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