3,5-Diamino-N-(N-Benzylcarbamimidoyl)-6-Chloro-2-Pyrazinecarboxamide

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Properties Simple | Detailed

Formula C13H14ClN7O
IUPAC Name 3,5-diamino-n-[(e)-n'-benzylcarbamimidoyl]-6-chloro-pyrazine-2-carboxamide
Molecular Mass 319.750 g·mol−1
Heat of Formation 103.2 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 348.58 Å 3
Surface Area 332.15 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 2-pyrazinecarboxamide, 3,5-diamino-n-[(1e)-amino[(phenylmethyl)amino]methylene]-6-chloro-, monohydrochloride
  • 2898-76-2 (hcl)
  • 3,5-diamino-6-chloro-n-(imino((phenylmethyl)amino)methyl)pyrazinecarboxamide
  • 3,5-diamino-6-chloro-n-(n'-(phenylmethyl)carbamimidoyl)pyrazine-2-carboxamide
  • 3,5-diamino-n-(n'-(benzyl)carbamimidoyl)-6-chloro-pyrazinamide
  • 3,5-diamino-n-[amino-(phenylmethylimino)methyl]-6-chloro-2-pyrazinecarboxamide
  • benzamil
  • bio1_000361
  • bio1_000850
  • bio1_001339
  • bio2_000300
  • bio2_000780
  • bpbio1_000763
  • n-(n-benzylamidino)-3,5-diamino-6-chloropyrazine carboxamide
  • pyrazinecarboxamide, 3,5-diamino-6-chloro-n-(imino((phenylmethyl)amino)methyl)-
  • smp1_000301
InChIKey KXDROGADUISDGY-UHFFFAOYSA-N
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