α-(Chloromethyl)-L-Histidine

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Properties Simple | Detailed

Formula C7H10ClN3O2
IUPAC Name (2s)-2-amino-2-(chloromethyl)-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid
Molecular Mass 203.626 g·mol−1
Heat of Formation -316.0 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 224.46 Å 3
Surface Area 200.87 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-(chloromethyl)-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-amino-2-(chloromethyl)-3-(3h-imidazol-4-yl)propionic acid
  • alpha-chloromethylhistidine
  • histidine, alpha-(chloromethyl)-
CAS Number(s)
  • 70470-95-0
InChIKey HLKHGMWYAADBPJ-SSDOTTSWSA-N
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Elements H C N O Cl