8-Chloro-N-Methyl-6-Phenyl-4H-(1,2,4)Triazolo(4,3-A)(1,4)Benzodiazepine-1-Methanamine

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Formula C18H16ClN5
IUPAC Name 1-(8-chloro-6-phenyl-4h-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-1-yl)-n-methylmethanamine
Molecular Mass 337.806 g·mol−1
Heat of Formation 498.1 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 387.76 Å 3
Surface Area 338.1 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (8-chloro-6-phenyl-4h-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-1-yl)methyl-methyl-amine
  • 1-(8-chloro-6-phenyl-4h-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-1-yl)-n-methyl-methanamine
  • 4h-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine, 8-chloro-n-methyl-6-phenyl-
  • mono-n-demethyladinazolam
  • mono-n-desmethyladin azolam
  • n-desmethyladinazolam
  • n-desmethyladinozolam
  • u 42352
  • u-42352
InChIKey XPMACCNVZKHGPT-UHFFFAOYSA-N
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Elements H C N Cl