Ozone/Nnk

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Properties Simple | Detailed

Formula C10H14N3O2
IUPAC Name n-methyl-n-(4-oxo-4-pyridin-1-ium-3-id-3-yl-butyl)nitrous amide
Molecular Mass 208.237 g·mol−1
Heat of Formation 21.1 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 253.97 Å 3
Surface Area 248.44 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-
  • 1-butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
  • 4-(methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(methylnitrosamino)-1-(3-pyridyl)-1-(butanone)
  • 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(n-methyl-n-nitrosoamino)-4-(3-pyridyl)-1-butanone
  • 4-(n-nitroso-n-methylamino)-1-(3-pyridyl)-1-butanone
  • 4-(n-nitrosomethylamino)-1-(3-pyridyl)-1-butanone
  • 4-(n-nitrosomethylamino)-1-(3-pyridyl)butan-1-one
  • 4-(nitrosoamino-n-methyl)-1-(3-pyridyl)-1-butanone
  • 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
  • 4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one
  • 4-methylnitrosoamino-1-(3-pyridinyl)-1-butanone
  • ketone, 3-pyridyl 3-(n-methyl-n-nitrosamino)propyl
  • n-[4-keto-4-(3-pyridyl)butyl]-n-methyl-nitrous amide
  • n-methyl-n-(4-oxo-4-pyridin-3-yl-butyl)nitrous amide
  • n-methyl-n-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
  • n-methyl-n-[4-oxo-4-(3-pyridyl)butyl]nitrous amide
  • n-methyl-n-nitroso-4-oxo-4-(3-pyridyl)butyl amine
  • nnk
  • nnk (carcinogen)
CAS Number(s)
  • 121268-99-3
  • 64091-91-4
  • 64142-44-5
  • 64173-37-1
  • 87876-94-6
  • 96552-68-0
  • 64091-50-5
InChIKey FLAQQSHRLBFIEZ-UHFFFAOYSA-N
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