4-{[(2-Methyl-2-Propanyl)(Oxo)Ammonio]Methylene}-1(4H)-Pyridinolate

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Properties Simple | Detailed

Formula C10H14N2O2
IUPAC Name tert-butyl-[(e)-(1-oxido-3h-pyridin-1-ium-3-id-4-ylidene)methyl]-oxo-ammonium
Molecular Mass 194.230 g·mol−1
Heat of Formation 49.9 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 244.19 Å 3
Surface Area 220.35 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-dimethyl-n-(4-pyridylmethylene)ethylamine n,n'-dioxide
  • alpha-(4-pyridyl n-oxide)-n-tert-butylnitrone
  • alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone
  • n-(4-pyridylmethylene)-tert-butylamine n,n'-dioxide
  • n-tert-butyl-alpha-(4-pyridyl)nitrone n′-oxide
  • pobn
  • tert-butyl-[(1-oxido-4-pyridylidene)methyl]-oxo-ammonium
  • tert-butyl-[(1-oxido-4-pyridylidene)methyl]-oxoammonium
  • tert-butyl-[(1-oxidopyridin-4-ylidene)methyl]-oxo-azanium
  • tert-butyl-[(1-oxidopyridin-4-ylidene)methyl]-oxoazanium
  • tert-butyl-keto-[(1-oxido-4-pyridylidene)methyl]ammonium
CAS Number(s)
  • 66893-81-0
InChIKey RNRMWTCECDHNQU-UHFFFAOYSA-N
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