4-Chloro-N-(4,5-Dihydro-1H-Imidazol-2-Yl)-1,3-Dihydro-2H-Isoindol-2-Amine

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Properties Simple | Detailed

Formula C11H13ClN4
IUPAC Name (2s)-4-chloro-n-(4,5-dihydro-1h-imidazol-2-yl)isoindolin-2-amine
Molecular Mass 236.701 g·mol−1
Heat of Formation 276.7 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 269.0 Å 3
Surface Area 255.2 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (4-chloroisoindolin-2-yl)-(4,5-dihydro-1h-imidazol-2-yl)amine
  • 4-chloro-n-(4,5-dihydro-1h-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
  • 4-chloro-n-(4,5-dihydro-1h-imidazol-2-yl)-2-isoindolinamine
  • 4-chloro-n-(4,5-dihydro-1h-imidazol-2-yl)isoindolin-2-amine
  • pdsp1_001653
  • pdsp2_001637
InChIKey OYLPBTPLAUXYTB-UHFFFAOYSA-N
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Elements H C N Cl