1-Benzyl-L-Histidine

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Properties Simple | Detailed

Formula C13H15N3O2
IUPAC Name (2s)-2-amino-3-(3-benzyl-4h-imidazol-3-ium-4-ylium-5-yl)propanoic acid
Molecular Mass 245.277 g·mol−1
Heat of Formation -148.3 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 312.36 Å 3
Surface Area 266.75 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 0
  • 7
  • c
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CAS Number(s)
  • 31534-22-2
InChIKey NMXSWQMJOZUQKY-LBPRGKRZSA-N
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