2-Methyl-2-Propanyl Methyl{1-Methyl-5-[Methyl(Nitroso)Carbamoyl]-1H-Imidazol-4-Yl}Carbamate

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Properties Simple | Detailed

Formula C12H19N5O4
IUPAC Name tert-butyl n-methyl-n-[1-methyl-5-[methyl(nitroso)carbamoyl]imidazol-4-yl]carbamate
Molecular Mass 297.310 g·mol−1
Heat of Formation -418.1 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 355.9 Å 3
Surface Area 312.88 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • carbamic acid, methyl(1-methyl-5-((methylnitrosoamino)carbonyl)-1h-imidazol-4-yl)-, 1,1-dimethylethyl ester
  • n-methyl-n-[1-methyl-5-(methyl-nitroso-carbamoyl)imidazol-4-yl]carbamic acid tert-butyl ester
  • n-methyl-n-[1-methyl-5-[(methyl-nitrosoamino)-oxomethyl]-4-imidazolyl]carbamic acid tert-butyl ester
  • tert-(butyloxy)carbonylmononitrosamidocaffeidine
  • tert-butyl n-methyl-n-[1-methyl-5-(methyl-nitroso-carbamoyl)imidazol-4-yl]carbamate
  • tert-butyl n-methyl-n-[1-methyl-5-(methyl-nitrosocarbamoyl)imidazol-4-yl]carbamate
  • tert-butyloxycarbonyl-mononitrosamidocaffeidine
CAS Number(s)
  • 145439-00-5
InChIKey LKQUZRCCKZTDTG-UHFFFAOYSA-N
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