1-Butanol, 4-(Butylnitrosamino)-

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Properties Simple | Detailed

Formula C8H18N2O2
IUPAC Name n-butyl-n-(4-hydroxybutyl)nitrous amide
Molecular Mass 174.241 g·mol−1
Heat of Formation -299.0 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 239.35 Å 3
Surface Area 235.7 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 3.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanol, 4-(butylnitrosoamino)-
  • 4-(butylnitrosamino)-1-butanol
  • 4-(butylnitrosoamino)-1-butanol
  • 4-(n-butylnitrosamino)-1-butanol
  • 4-[butyl(nitroso)amino]butan-1-ol
  • 4-hydroxybutylbutylnitrosamine
  • bbn
  • butanol (4)-butyl-nitrosamine
  • butyl-butanol-nitrosamine
  • butylbutanol nitrosamine
  • butylhydroxybutylnitrosamine
  • dibutylamine, 4-hydroxy-n-nitroso-
  • n-butyl-(4-hydroxybutyl)nitrosamine
  • n-butyl-n-(4-hydroxybutyl)nitrosamine
  • n-butyl-n-(4-hydroxybutyl)nitrous amide
  • n-nitroso-n-butyl-(4-hydroxybutyl)amine
  • n-nitroso-n-butyl-n-(4-carboxypropyl)amine
  • n-nitrosobutylbutanolamine
CAS Number(s)
  • 3817-11-6
InChIKey DIKPQFXYECAYPC-UHFFFAOYSA-N
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