N-[2-(1H-Imidazol-5-Yl)Ethyl]-β-Alaninamide

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Properties Simple | Detailed

Formula C8H14N4O
IUPAC Name 3-amino-n-[2-(1h-imidazol-5-yl)ethyl]propanamide
Molecular Mass 182.223 g·mol−1
Heat of Formation -95.8 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 233.89 Å 3
Surface Area 223.47 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-n-[2-(3h-imidazol-4-yl)ethyl]propanamide
  • 3-amino-n-[2-(3h-imidazol-4-yl)ethyl]propionamide
  • beta-alanylhistamine
  • bpbio1_000446
  • propanamide, 3-amino-n-(2-(1h-imidazol-4-yl)ethyl)-
  • smp2_000161
InChIKey ANRUJJLGVODXIK-UHFFFAOYSA-N
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