3-Ethyl-L-Histidine

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Properties Simple | Detailed

Formula C8H13N3O2
IUPAC Name (2s)-2-amino-3-(3-ethylimidazol-3-ium-4-ylium-4-yl)propanoic acid
Molecular Mass 183.208 g·mol−1
Heat of Formation -282.9 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 231.4 Å 3
Surface Area 211.1 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 3.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3-ethyl-4-imidazolyl)propanoic acid
  • (2s)-2-amino-3-(3-ethylimidazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(3-ethylimidazol-4-yl)propionic acid
  • 3-ethylhistidine
  • l-histidine, 3-ethyl-
CAS Number(s)
  • 35166-49-5
InChIKey KOAWDFCVOHGUFB-ZETCQYMHSA-N
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