N-(2-Carbamimidamidoethyl)Isoquinoline-5-Sulfonamide

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Properties Simple | Detailed

Formula C12H15N5O2S
IUPAC Name 2-[2-(5-isoquinolylsulfonylamino)ethyl]guanidine
Molecular Mass 293.345 g·mol−1
Heat of Formation -59.0 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 329.22 Å 3
Surface Area 304.16 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine
  • 5-isoquinolinesulfonamide, n-(2-((aminoiminomethyl)amino)ethyl)-
  • amino{2-[(5-isoquinolylsulfonyl)amino]ethyl}carboxamidine
  • bio2_000387
  • bio2_000867
  • ha 1004
  • ha1004
  • ht 1004
  • n-(2-((aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
  • n-(2-guanidinoethyl)-5-isoquinolinesulfonamide
CAS Number(s)
  • 91742-10-8
InChIKey MZNDNBFMSVMUCX-UHFFFAOYSA-N
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