6-(Allyloxy)-9-Chloro-3-Methyl-2,3,4,5-Tetrahydro-1H-3-Benzazepine

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Properties Simple | Detailed

Formula C14H18ClNO
IUPAC Name (3s)-9-allyloxy-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
Molecular Mass 251.752 g·mol−1
Heat of Formation -67.9 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 312.72 Å 3
Surface Area 265.8 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-3-benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-(2-propenyloxy)-
  • 9-allyloxy-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
  • 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1h-benzazepine
  • sk&f 101253
  • skf 101253
CAS Number(s)
  • 86120-57-2
InChIKey CJFOJUCLYBZSAN-UHFFFAOYSA-N
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Elements H C N O Cl