4-{(1R)-2-[Butyl(Nitroso)Amino]-1-Hydroxyethyl}-2-Diazoniophenolate

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Formula C12H16N4O3
IUPAC Name [3-[(1r)-2-[butyl(nitroso)amino]-1-hydroxy-ethyl]-6-oxo-cyclohexa-1,4-dien-1-yl]-λ1-azanyl-azanide
Molecular Mass 264.280 g·mol−1
Heat of Formation -42.6 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 322.12 Å 3
Surface Area 283.48 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-diazo-4-oxo-1,5-cyclohexadienyl)-1-hydroxy-2-(n-nitrosobutylamino)ethane
  • 2-cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (r)-
  • 3-diazo-n-nitrosobamethan
  • 4-[(1r)-2-(butyl-nitroso-amino)-1-hydroxy-ethyl]-2-diazonio-phenolate
  • 4-[(1r)-2-(butyl-nitrosoamino)-1-hydroxyethyl]-2-diazoniophenolate
CAS Number(s)
  • 108333-74-0
InChIKey XCTWLIUNPSHBSS-LBPRGKRZSA-N
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