(E)-Doxepin

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Properties Simple | Detailed

Formula C19H21NO
IUPAC Name (3e)-3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n,n-dimethyl-propan-1-amine
Molecular Mass 279.376 g·mol−1
Heat of Formation 71.5 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 360.13 Å 3
Surface Area 321.6 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n,n-dimethyl-propan-1-amine
  • (3e)-3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n,n-dimethylpropan-1-amine
  • (3e)-3-dibenzo[b,e]oxepin-11(6h)-ylidene-n,n-dimethylpropan-1-amine
  • 1-propanamine, 3-dibenz(b,e)oxepin-11(6h)-ylidene-n,n-dimethyl-
  • 11-(3-(dimethylamino)propylidene)-6h-dibenz(b,e)oxepine
  • 11-(3-dimethylamino-propyliden)-6,11-dihydro-dibenz(b,e)oxipin
  • 11-(3-dimethylaminopropylidene)-6,11-dihydrodibenz(b,e)oxipin
  • 3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n,n-dimethyl-propan-1-amine
  • 3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n,n-dimethylpropan-1-amine
  • 3-(6h-benzo[c][1]benzoxepin-11-ylidene)propyl-dimethyl-amine
  • [(3e)-3-(6h-benzo[c][1]benzoxepin-11-ylidene)propyl]-dimethyl-amine
  • bpbio1_000118
  • dibenz(b,e)oxepin-delta(11(6h),gamma)-propylamine, n,n-dimethyl-
  • dibenz(b,e)oxepin-delta(sup 11(6h)),gamma-propylamine, n,n-dimethyl-
  • doxepine
  • mf 10
  • n,n-dimethyldibenz(b,e)oxepin-delta(11(6h),gamma)-propylamine
  • oprea1_473232
  • tocris-0508
  • trans-doxepin
CAS Number(s)
  • 1668-19-5
InChIKey ODQWQRRAPPTVAG-GZTJUZNOSA-N
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