4-[Allyl(Nitroso)Amino]-1-Butanol

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Properties Simple | Detailed

Formula C7H14N2O2
IUPAC Name n-allyl-n-(4-hydroxybutyl)nitrous amide
Molecular Mass 158.198 g·mol−1
Heat of Formation -160.0 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 214.48 Å 3
Surface Area 210.33 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 3.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanol, 4-(allylnitrosamino)-
  • 1-butanol, 4-(nitroso-2-propenylamino)-
  • 4-(allylnitrosamino)-1-butanol
  • 4-hydroxybutyl(2-propenyl)nitrosamine
  • 4-hydroxybutyl-(2-propenyl)nitrosamine
  • n-(4-hydroxybutyl)-n-prop-2-enyl-nitrous amide
  • n-(4-hydroxybutyl)-n-prop-2-enylnitrous amide
  • n-allyl-n-(4-hydroxybutyl)nitrous amide
CAS Number(s)
  • 61424-17-7
InChIKey DGLIVTKBJCECAC-UHFFFAOYSA-N
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