3,5-Diamino-6-Chloro-N-[N'-(2-Methoxy-5-Nitrobenzyl)Carbamimidoyl]-2-Pyrazinecarboxamide

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Properties Simple | Detailed

Formula C14H15ClN8O4
IUPAC Name 3,5-diamino-6-chloro-n-[(e)-n'-[(2-methoxy-5-nitro-phenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
Molecular Mass 394.773 g·mol−1
Heat of Formation -87.8 ± 16.7 kJ·mol−1
Dipole Moment 8.48 ± 1.08 D
Volume 416.53 Å 3
Surface Area 363.64 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-methoxy-5'-nitrobenzamil
  • 3,5-diamino-6-chloro-n-(imino(((2-methoxy-5-nitrophenyl)methyl)amino)methyl)pyrazinecarboxamide
  • 3,5-diamino-6-chloro-n-[n'-(2-methoxy-5-nitro-benzyl)carbamimidoyl]pyrazinamide
  • 3,5-diamino-6-chloro-n-[n'-[(2-methoxy-5-nitro-phenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
  • 3,5-diamino-n-[amino-[(2-methoxy-5-nitrophenyl)methylimino]methyl]-6-chloro-2-pyrazinecarboxamide
  • mn-benzamil
  • pyrazinecarboxamide, 3,5-diamino-6-chloro-n-(imino(((2-methoxy-5-nitrophenyl)methyl)amino)methyl)-
CAS Number(s)
  • 122341-74-6
InChIKey FUWFKBHKVULDCP-UHFFFAOYSA-N
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