N-(2-Aminoethyl)-5-Chloro-8-Isoquinolinesulfonamide

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Properties Simple | Detailed

Formula C11H12ClN3O2S
IUPAC Name n-(2-aminoethyl)-5-chloro-4h-isoquinolin-2-ium-4-ide-8-sulfonamide
Molecular Mass 285.750 g·mol−1
Heat of Formation -142.7 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 304.16 Å 3
Surface Area 267.84 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-isoquinoline-8-sulfonic acid, (2-amino-ethyl)-amide
  • 8-isoquinolinesulfonamide, n-(2-aminoethyl)-5-chloro-
  • cki
  • cki 7
  • n-(2-aminoethyl)-5-chloro-isoquinoline-8-sulfonamide
  • n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
CAS Number(s)
  • 120615-25-0
InChIKey OGKYMFFYOWUTKV-UHFFFAOYSA-N
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