α-Methyl-L-Histidine

Molecule SVG Image

Properties Simple | Detailed

Formula C7H11N3O2
IUPAC Name (2s)-2-amino-3-imidazol-3-ium-4-ylium-4-yl-2-methyl-propanoic acid
Molecular Mass 169.181 g·mol−1
Heat of Formation -272.5 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 203.82 Å 3
Surface Area 190.04 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3h-imidazol-4-yl)-2-methyl-propanoic acid
  • (2s)-2-amino-3-(3h-imidazol-4-yl)-2-methyl-propionic acid
  • (2s)-2-amino-3-(3h-imidazol-4-yl)-2-methylpropanoic acid
  • alpha-methylhistidine
  • histidine, alpha-methyl-
CAS Number(s)
  • 587-20-2
InChIKey HRRYYCWYCMJNGA-ZETCQYMHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N