7-Chloro-5-Phenyl-3H-1,4-Benzodiazepin-2-Amine

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Properties Simple | Detailed

Formula C15H12ClN3
IUPAC Name 7-chloro-5-phenyl-3h-1,4-benzodiazepin-2-amine
Molecular Mass 269.729 g·mol−1
Heat of Formation 319.6 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 306.4 Å 3
Surface Area 278.13 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (7-chloro-5-phenyl-3h-1,4-benzodiazepin-2-yl)amine
  • 3h-1,4-benzodiazepin-2-amine, 7-chloro-5-phenyl-
  • desmethyldesoxychlordiazepoxide
  • n-desmethyl-n(4)-desoxychlordiazepoxide
CAS Number(s)
  • 7564-07-0
  • 62748-58-7
InChIKey UMBZDAJGYNJMGS-UHFFFAOYSA-N
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Elements H C N Cl