Methyl L-Histidinate

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Properties Simple | Detailed

Formula C7H11N3O2
IUPAC Name methyl (2s)-2-amino-3-(1h-imidazol-5-yl)propanoate
Molecular Mass 169.181 g·mol−1
Heat of Formation -242.9 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 204.93 Å 3
Surface Area 198.81 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3h-imidazol-4-yl)propanoic acid methyl ester
  • (2s)-2-amino-3-(3h-imidazol-4-yl)propionic acid methyl ester
  • methyl (2s)-2-amino-3-(3h-imidazol-4-yl)propanoate
CAS Number(s)
  • 1499-46-3
InChIKey BXRMEWOQUXOLDH-LURJTMIESA-N
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