(5-Isoquinolinesulfonyl)Homopiperazine

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Properties Simple | Detailed

Formula C14H17N3O2S
IUPAC Name 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline
Molecular Mass 291.369 g·mol−1
Heat of Formation -86.2 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 332.13 Å 3
Surface Area 282.07 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-isoquinolinesulfonyl)homopiperazine
  • 1-(5-isoquinolinesulphonyl)homopiperazine
  • 1-(5-isoquinolinylsulfonyl)homopiperazine
  • 1-(5-isoquinolylsulfonyl)-1,4-diazaperhydroepine
  • 105628-07-7(hydrochloride)
  • 1h-1,4-diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-
  • 1h-1,4-diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)- (9ci)
  • 5-(1,4-diazepan-1-sulfonyl)isoquinoline
  • 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline
  • at 877
  • bio2_000386
  • bio2_000866
  • biomolki2_000046
  • biomolki_000038
  • fh
  • ha 1077
  • ha1077
  • hexahydro-1-(5-isoquinolinylsulfonyl)-1h-1,4-diazepine
  • hexahydro-1-(5-isoquinolylsulfonyl)-1h-1,4-diazepine
  • m77
  • smp2_000083
  • tocris-0541
CAS Number(s)
  • 103745-39-7
InChIKey NGOGFTYYXHNFQH-UHFFFAOYSA-N
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