N,1-Dimethyl-4-(Methylamino)-1H-Imidazole-5-Carboxamide

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Properties Simple | Detailed

Formula C7H12N4O
IUPAC Name n,3-dimethyl-5-(methylamino)imidazole-4-carboxamide
Molecular Mass 168.196 g·mol−1
Heat of Formation -62.7 ± 16.7 kJ·mol−1
Dipole Moment 0.65 ± 1.08 D
Volume 206.93 Å 3
Surface Area 200.83 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-5-carboxamide, n,1-dimethyl-4-(methylamino)-
  • caffeidine
  • n,3-dimethyl-5-methylamino-4-imidazolecarboxamide
  • n,3-dimethyl-5-methylamino-imidazole-4-carboxamide
  • n,3-dimethyl-5-methylaminoimidazole-4-carboxamide
CAS Number(s)
  • 20041-90-1
InChIKey FNYXJOYPHLKLRW-UHFFFAOYSA-N
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