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

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Properties Simple | Detailed

Formula C7H16N2O2
IUPAC Name n-(4-hydroxybutyl)-n-propyl-nitrous amide
Molecular Mass 160.214 g·mol−1
Heat of Formation -278.5 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 217.76 Å 3
Surface Area 214.67 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 3.55 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanol, 4-(propylnitrosamino)-
  • 4-(propylnitrosamino)-1-butanol
  • n-(4-hydroxybutyl)-n-propyl-nitrous amide
  • n-(4-hydroxybutyl)-n-propylnitrous amide
  • n-nitroso-n-propyl-(4-hydroxybutyl)amine
  • n-propyl-n-(4-hydroxybutyl)nitrosamine
  • phbn
  • propyl(4-hydroxybutyl)nitrosamine
CAS Number(s)
  • 51938-12-6
InChIKey UWWNOBIHFJLOSY-UHFFFAOYSA-N
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