{Nitroso[4-Oxo-4-(3-Pyridinyl)Butyl]Amino}Methyl Acetate

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Properties Simple | Detailed

Formula C12H15N3O4
IUPAC Name [nitroso-[4-oxo-4-(3-pyridyl)butyl]amino]methyl acetate
Molecular Mass 265.265 g·mol−1
Heat of Formation -410.5 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 313.27 Å 3
Surface Area 256.42 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanone, 4-(((acetyloxy)methyl)nitrosoamino)-1-(3-pyridinyl)-
  • 4-(((acetyloxy)methyl)nitrosoamino)-1-(3-pyridinyl)-1-butanone
  • 4-((acetoxymethy)nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(acetoxymethylnitrosoamino)-1-(3-pyridyl)-1-butanone
  • [nitroso-(4-oxo-4-pyridin-3-yl-butyl)amino]methyl ethanoate
  • [nitroso-(4-oxo-4-pyridin-3-ylbutyl)amino]methyl acetate
  • acetic acid [[4-keto-4-(3-pyridyl)butyl]-nitroso-amino]methyl ester
  • acetic acid [nitroso-[4-oxo-4-(3-pyridyl)butyl]amino]methyl ester
CAS Number(s)
  • 127686-49-1
InChIKey PGOGEOISASKDLL-UHFFFAOYSA-N
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