4-(8-Methyl-9H-[1,3]Dioxolo[4,5-H][2,3]Benzodiazepin-5-Yl)Aniline

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Formula C17H15N3O2
IUPAC Name 4-(8-methyl-9h-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline
Molecular Mass 293.320 g·mol−1
Heat of Formation 92.1 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 338.19 Å 3
Surface Area 302.97 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(p-aminophenyl)-4-methyl-7,8-methylenedioxy-5h-2,3-benzodiazepine hydrochloride
  • 4-(8-methyl-9h-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)benzenamine
  • 4-(8-methyl-9h-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine
  • benzenamine, 4-(8-methyl-9h-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)-
  • gyki 52466
  • gyki-52466
  • gyki52466
  • pdsp1_001843
  • pdsp2_001826
  • tocris-1454
CAS Number(s)
  • 102771-26-6
InChIKey LFBZZHVSGAHQPP-UHFFFAOYSA-N
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