1-(Butylsulfonyl)Azepane

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Properties Simple | Detailed

Formula C10H21NO2S
IUPAC Name 1-butylsulfonylazepane
Molecular Mass 219.344 g·mol−1
Heat of Formation -476.4 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 277.65 Å 3
Surface Area 251.77 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-azepine, 1-(butylsulfonyl)hexahydro-
  • hexamethylene butanesulfonamide
  • n-butylsulfonimidocyclohexamethylene
CAS Number(s)
  • 14674-01-2
InChIKey OJTJIYMTGJBBSE-UHFFFAOYSA-N
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