2,3,4,5-Tetrahydro-8-(Methylsulfonyl)-1H-3-Benzazepin-7-Ol

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Properties Simple | Detailed

Formula C11H15NO3S
IUPAC Name 7-methylsulfonyl-2,3,4,5-tetrahydro-1h-3-benzazepin-8-ol
Molecular Mass 241.307 g·mol−1
Heat of Formation -460.1 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 270.12 Å 3
Surface Area 246.26 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-3-benzazepin-7-ol, 2,3,4,5-tetrahydro-8-(methylsulfonyl)-
  • 2,3,4,5-tetrahydro-8-(methylsulfonyl)-1h-3-benzazepin-7-ol hydrobromide
  • 8-mesyl-2,3,4,5-tetrahydro-1h-3-benzazepin-7-ol
  • 8-methylsulfonyl-2,3,4,5-tetrahydro-1h-3-benzazepin-7-ol
  • sk&f 103829
  • sk&f-103829
  • skf 103829
CAS Number(s)
  • 108963-06-0
InChIKey HZQZSHLPFAEMLD-UHFFFAOYSA-N
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