3-(1H-Imidazol-1-Ylmethyl)-2-Methyl-1H-Indole-1-Propanoic Acid

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Properties Simple | Detailed

Formula C16H17N3O2
IUPAC Name 3-[3-(4h-imidazol-3-ium-4-ylium-3-ylmethyl)-2-methyl-indol-1-ium-2-ylium-1-yl]propanoic acid
Molecular Mass 283.325 g·mol−1
Heat of Formation -120.5 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 347.48 Å 3
Surface Area 304.14 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-1-propanoic acid, 3-(1h-imidazol-1-ylmethyl)-2-methyl-
  • 3-(imidazol-1-ylmethyl)-2-methylindole-1-propionic acid
  • 3-[3-(1-imidazolylmethyl)-2-methyl-1-indolyl]propanoic acid
  • 3-[3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoic acid
  • 3-[3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propionic acid
  • 3-[3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid
  • cbdive_000516
  • d03661
  • dazmegrel
  • dazmegrel (usan)
  • dazmegrelum [latin]
  • oprea1_040141
  • uk 38,485
  • uk-38485
CAS Number(s)
  • 76894-77-4
InChIKey DEQLGSOHGTZKFB-UHFFFAOYSA-N
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