3-Amino-5-(1-Azepanyl)-N-Carbamimidoyl-6-Chloro-2-Pyrazinecarboxamide

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Properties Simple | Detailed

Formula C12H18ClN7O
IUPAC Name 3-amino-5-(azepan-1-yl)-6-chloro-n-(diaminomethylene)pyrazine-2-carboxamide
Molecular Mass 311.771 g·mol−1
Heat of Formation 1.6 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 351.78 Å 3
Surface Area 315.51 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-5-(1-azepanyl)-6-chloro-n-(diaminomethylene)-2-pyrazinecarboxamide
  • 3-amino-5-(azepan-1-yl)-6-chloro-n-(diaminomethylene)pyrazinamide
  • 3-amino-5-(azepan-1-yl)-6-chloro-n-(diaminomethylene)pyrazine-2-carboxamide
  • 3-amino-6-chloro-5-(1-homopiperidyl)-n-(diaminomethylene)pyrazinecarboxamide
  • 3-amino-n-(aminoiminomethyl)-6-chloro-5-(hexahydro-1h-azepin-1-yl)pyrazinecarboxamide
  • 5-(n,n-hexamethylene)amiloride
  • hexamethylene amiloride
  • hexamethyleneamiloride
  • hma
  • hma-5
  • pdsp1_001080
  • pdsp2_001064
  • pyrazinecarboxamide, 3-amino-n-(aminoiminomethyl)-6-chloro-5-(hexahydro-1h-azepin-1-yl)-
CAS Number(s)
  • 1428-95-1
InChIKey RQQJJXVETXFINY-UHFFFAOYSA-N
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Elements H C N O Cl