N-(4-Chlorobenzyl)-2-(1H-Imidazol-1-Ylmethyl)Aniline

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Properties Simple | Detailed

Formula C17H16ClN3
IUPAC Name n-[(4-chlorophenyl)methyl]-2-(4h-imidazol-3-ium-4-ylium-3-ylmethyl)aniline
Molecular Mass 297.782 g·mol−1
Heat of Formation 317.0 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 358.99 Å 3
Surface Area 321.36 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (4-chlorobenzyl)-[2-(imidazol-1-ylmethyl)phenyl]amine
  • 4-cimba
  • benzenemethanamine, 4-chloro-n-(2-(1h-imidazol-1-ylmethyl)phenyl)-
  • l-dopa melanin
  • n-(4-chlorobenzyl)-2-(1h-imidazol-1-ylmethyl)benzenamine
  • n-[(4-chlorophenyl)methyl]-2-(1-imidazolylmethyl)aniline
  • n-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
CAS Number(s)
  • 102432-74-6
InChIKey XSEISCCZWTVSRP-UHFFFAOYSA-N
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Elements H C N Cl