N-(1-Carboxyethyl)-L-Histidine

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Properties Simple | Detailed

Formula C9H13N3O4
IUPAC Name (2s)-2-[[(1s)-1-carboxyethyl]amino]-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid
Molecular Mass 227.217 g·mol−1
Heat of Formation -657.0 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 261.89 Å 3
Surface Area 244.77 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
InChIKey KEMGAOPOGGLPBQ-FSPLSTOPSA-N
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