4-(Carboethoxynitrosamino)Butanal

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Properties Simple | Detailed

Formula C7H12N2O4
IUPAC Name ethyl n-nitroso-n-(4-oxobutyl)carbamate
Molecular Mass 188.181 g·mol−1
Heat of Formation -516.0 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 224.85 Å 3
Surface Area 225.28 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(carbethoxynitrosamino)butanal
  • carbamic acid, nitroso(4-oxobutyl)-, ethyl ester
  • cenab
  • ethyl n-nitroso-n-(4-oxobutyl)carbamate
  • n-(4-ketobutyl)-n-nitroso-carbamic acid ethyl ester
  • n-nitroso-n-(4-oxobutyl)carbamic acid ethyl ester
CAS Number(s)
  • 65734-41-0
InChIKey QEYYJZFZVMEDRQ-UHFFFAOYSA-N
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