H-89

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Properties Simple | Detailed

Formula C20H21BrN3O2S
IUPAC Name n-[2-[[(e)-3-(4-bromophenyl)allyl]amino]ethyl]-4h-isoquinolin-2-ium-4-ide-5-sulfonamide
Molecular Mass 447.369 g·mol−1
Heat of Formation 70.4 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 470.84 Å 3
Surface Area 414.34 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 5-isoquinolinesulfonamide, n-(2-((3-(4-bromophenyl)-2- propenyl)amino)ethyl)-
  • 5-isoquinolinesulfonamide, n-(2-((3-(4-bromophenyl)-2-propenyl)amino)ethyl)-
  • bio1_000301
  • bio1_000790
  • bio1_001279
  • bio2_000384
  • bio2_000864
  • cbiol_002015
  • h 89
  • h89
  • iqb
  • n-(2-((3-(4-bromophenyl)-2-propenyl)amino)ehtyl)-5-isoquinolinesulfonamide dihydrochloride
  • n-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide
  • n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide
  • n-[2-[3-(4-bromophenyl)prop-2-enylamino]ethyl]-5-isoquinolinesulfonamide
  • n-[2-[3-(4-bromophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide
  • n-[2-[[(e)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide
  • n-[2-[[(e)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
CAS Number(s)
  • 127243-85-0
InChIKey ZKZXNDJNWUTGDK-NSCUHMNNSA-N
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Elements C H O N S Br