4-[2-(2,6-Dimethylphenyl)Ethyl]-1H-Imidazole

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Properties Simple | Detailed

Formula C13H16N2
IUPAC Name 5-[2-(2,6-dimethylphenyl)ethyl]imidazol-1-ium-5-ylium
Molecular Mass 200.280 g·mol−1
Heat of Formation 114.6 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 267.04 Å 3
Surface Area 244.05 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole, 4-(2-(2,6-dimethylphenyl)ethyl)-
  • 4(5)-2-(2,6-dimethylphenyl)ethylimidazole
  • 4-[2-(2,6-dimethylphenyl)ethyl]-3h-imidazole
  • mpv 295
  • mpv-295
  • pdsp1_001660
  • pdsp2_001644
CAS Number(s)
  • 79928-22-6
InChIKey WRAZSLKGTVFTSN-UHFFFAOYSA-N
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DOI
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Elements H C N