1-[Nitroso(2-Oxopropyl)Amino]-2-Butanone

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Properties Simple | Detailed

Formula C7H12N2O3
IUPAC Name n-acetonyl-n-(2-oxobutyl)nitrous amide
Molecular Mass 172.182 g·mol−1
Heat of Formation -350.9 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 214.65 Å 3
Surface Area 198.51 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butanone, 1-(n-acetonyl-n-nitrosoamino)-
  • 2-butanone, 1-(nitroso(2-oxopropyl)amino)-
  • n-(2-oxobutyl)-n-(2-oxopropyl)nitrous amide
  • n-acetonyl-n-(2-ketobutyl)nitrous amide
  • n-acetonyl-n-(2-oxobutyl)nitrous amide
  • n-nitroso(2-oxobutyl)(2-oxopropyl)amine
  • obob
CAS Number(s)
  • 77698-20-5
InChIKey PMENDGPEYXEHSF-UHFFFAOYSA-N
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