N,1-Dimethyl-4-[Methyl(Nitroso)Amino]-N-Nitroso-1H-Imidazole-5-Carboxamide

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Properties Simple | Detailed

Formula C7H10N6O3
IUPAC Name n,3-dimethyl-5-[methyl(nitroso)amino]-n-nitroso-imidazol-3-ium-4-ylium-4-carboxamide
Molecular Mass 226.193 g·mol−1
Heat of Formation 72.2 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 252.38 Å 3
Surface Area 231.44 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-5-carboxamide, n,1-dimethyl-4-(methylnitrosoamino)-n-nitroso-
  • dinitrosocaffeidine
  • n,1-dimethyl-4-(methylnitrosoamino)-n-nitroso-1h-imidazole-5-carboxamide
  • n,3-dimethyl-5-(methyl-nitroso-amino)-n-nitroso-imidazole-4-carboxamide
  • n,3-dimethyl-5-(methyl-nitrosoamino)-n-nitroso-4-imidazolecarboxamide
  • n,3-dimethyl-5-(methyl-nitrosoamino)-n-nitrosoimidazole-4-carboxamide
CAS Number(s)
  • 145438-97-7
InChIKey GMZOUDFUPHOZBW-UHFFFAOYSA-N
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