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

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Properties Simple | Detailed

Formula C7H11N5O2
IUPAC Name n,3-dimethyl-5-[methyl(nitroso)amino]imidazol-3-ium-4-ylium-4-carboxamide
Molecular Mass 197.195 g·mol−1
Heat of Formation -7.0 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 226.42 Å 3
Surface Area 219.8 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-5-carboxamide, n,1-dimethyl-4-(methylnitrosoamino)-
  • mononitrosocaffeidine
  • n,3-dimethyl-5-(methyl-nitroso-amino)imidazole-4-carboxamide
  • n,3-dimethyl-5-(methyl-nitrosoamino)-4-imidazolecarboxamide
  • n,3-dimethyl-5-(methyl-nitrosoamino)imidazole-4-carboxamide
CAS Number(s)
  • 145438-96-6
InChIKey YVJMGYAIELXOQU-UHFFFAOYSA-N
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