3-Amino-5-[(3-Aminophenyl)Amino]-6-Chloro-N-(Diaminomethylene)-2-Pyrazinecarboxamide

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Properties Simple | Detailed

Formula C12H13ClN8O
IUPAC Name 3-amino-5-(3-aminoanilino)-6-chloro-n-(diaminomethylene)pyrazine-2-carboxamide
Molecular Mass 320.738 g·mol−1
Heat of Formation 159.0 ± 16.7 kJ·mol−1
Dipole Moment 6.91 ± 1.08 D
Volume 347.17 Å 3
Surface Area 324.05 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-5-[(3-aminophenyl)amino]-6-chloro-n-(diaminomethylene)pyrazinamide
  • 3-amino-5-[(3-aminophenyl)amino]-6-chloro-n-(diaminomethylene)pyrazine-2-carboxamide
  • 3-amino-n-(aminoiminomethyl)-5-((3-aminophenyl)amino)-6-chloropyrazinecarboxamide
  • 5-apa
  • 5-n-(3-aminophenyl)amiloride
  • pyrazinecarboxamide, 3-amino-n-(aminoiminomethyl)-5-((3-aminophenyl)amino)-6-chloro-
CAS Number(s)
  • 108414-87-5
InChIKey DMGLDYFGHJWMJJ-UHFFFAOYSA-N
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