1-[(2S,3R)-2-Hydroxy-3-Nonanyl]-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C13H23N3O2
IUPAC Name 3-[(1r)-1-[(1s)-1-hydroxyethyl]heptyl]-4h-imidazol-3-ium-4-ylium-5-carboxamide
Molecular Mass 253.341 g·mol−1
Heat of Formation -413.8 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 336.11 Å 3
Surface Area 310.51 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxy-3-nonyl)imidazole-4-carboxamide
  • 1-[(1r)-1-(1-hydroxyethyl)heptyl]-4-imidazolecarboxamide
  • 1-[(1r)-1-(1-hydroxyethyl)heptyl]imidazole-4-carboxamide
  • 1-[(2s,3r)-2-hydroxynonan-3-yl]imidazole-4-carboxamide
  • 1-hnic
CAS Number(s)
  • 130573-54-5
InChIKey JWHINRCANJWPCL-CMPLNLGQSA-N
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