3-Chloro-10,11-Dihydro-N-Methyl-5H-Dibenz(B,F)Azepine-5-Propanamine

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Properties Simple | Detailed

Formula C18H21ClN2
IUPAC Name 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-n-methyl-propan-1-amine
Molecular Mass 300.826 g·mol−1
Heat of Formation 148.4 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 370.22 Å 3
Surface Area 327.23 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-chloro-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n-methyl-1-propanamine
  • 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-n-methyl-propan-1-amine
  • 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-n-methylpropan-1-amine
  • 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amine
  • 5h-dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-n-methyl-
  • demethylchlorimipramine
  • desmethylchlorimipramine
  • desmethylclomipramine
  • n-demethylclomipramine
  • norclomipramine
CAS Number(s)
  • 303-48-0
InChIKey VPIXQGUBUKFLRF-UHFFFAOYSA-N
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Elements H C N Cl