Ethyl Nitroso[4-Oxo-4-(3-Pyridinyl)Butyl]Carbamate

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Properties Simple | Detailed

Formula C12H15N3O4
IUPAC Name ethyl n-nitroso-n-[4-oxo-4-(3-pyridyl)butyl]carbamate
Molecular Mass 265.265 g·mol−1
Heat of Formation -390.0 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 310.79 Å 3
Surface Area 298.94 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(n-carbethoxy-n-nitrosamino)-1-(3-pyridyl)-1-butanone
  • carbamic acid, nitroso(4-oxo-4-(3-pyridyl)butyl)-, ethyl ester
  • ethyl n-nitroso-n-(4-oxo-4-pyridin-3-yl-butyl)carbamate
  • ethyl n-nitroso-n-(4-oxo-4-pyridin-3-ylbutyl)carbamate
  • ethyl n-nitroso-n-[4-oxo-4-(3-pyridyl)butyl]carbamate
  • ethyl nitroso(4-oxo-4-(3-pyridyl)butyl)carbamate
  • n-[4-keto-4-(3-pyridyl)butyl]-n-nitroso-carbamic acid ethyl ester
  • n-nitroso-n-[4-oxo-4-(3-pyridyl)butyl]carbamic acid ethyl ester
CAS Number(s)
  • 68743-68-0
InChIKey UFWSSCAAHBNZRO-UHFFFAOYSA-N
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