[Nitroso(2-Oxopropyl)Amino]Methyl Acetate

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Properties Simple | Detailed

Formula C6H10N2O4
IUPAC Name [acetonyl(nitroso)amino]methyl acetate
Molecular Mass 174.155 g·mol−1
Heat of Formation -533.7 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 203.27 Å 3
Surface Area 201.07 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
Synonyms
  • (acetonyl-nitroso-amino)methyl acetate
  • (nitroso-(2-oxopropyl)amino)methyl acetate
  • (nitroso-(2-oxopropyl)amino)methyl ethanoate
  • 1-((hydroxymethyl)nitrosamino)-2-propanone acetate (ester)
  • 2-propanone, 1-((acetyloxymethyl)nitrosoamino)-
  • 2-propanone, 1-((hydroxymethyl)nitrosamino)-, acetate (ester)
  • acetic acid (acetonyl-nitroso-amino)methyl ester
  • acetic acid (acetonyl-nitrosoamino)methyl ester
  • acetic acid, ((2-oxopropyl)nitrosamino)methyl ester
  • acetic acid, (acetonylnitrosamino)methyl ester
  • n-acetoxymethyl-n-2-oxopropylnitrosamine
  • n-nitroso-n-acetoxymethyl-n-2-oxopropylamine
CAS Number(s)
  • 89837-94-5
InChIKey WBBIYRQDHZMMPN-UHFFFAOYSA-N
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