3-(3-Butenylnitrosamino)-1-Propanol

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Properties Simple | Detailed

Formula C7H14N2O2
IUPAC Name n-but-3-enyl-n-(3-hydroxypropyl)nitrous amide
Molecular Mass 158.198 g·mol−1
Heat of Formation -150.8 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 212.9 Å 3
Surface Area 210.8 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 3.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanol, 3-(3-butenylnitrosoamino)-
  • 3-butenyl-(3-hydroxypropyl)nitrosamine
  • n-but-3-enyl-n-(3-hydroxypropyl)nitrous amide
CAS Number(s)
  • 61424-18-8
InChIKey WPMAZWQMHMPBSL-UHFFFAOYSA-N
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