Allyl Cyanide

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Properties Simple | Detailed

Formula C4H5N
IUPAC Name but-3-enenitrile
Molecular Mass 67.089 g·mol−1
Heat of Formation 157.2 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 100.01 Å 3
Surface Area 116.98 Å 2
HOMO Energy -10.87 ± 0.55 eV
LUMO Energy 3.43 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-butenonitrile
  • 1-butene-4-nitrile
  • 2-butenol-1
  • 3-butenenitrile
  • 3-butenonitrile
  • 3-butenylnitrile
  • 3-cyano-1-propene
  • 3-cyanopropene
  • acetonitrile, vinyl-
  • allylnitrile
  • beta-butenonitrile
  • propene-3-nitrile
  • tl 350
  • vinylacetonitrile
CAS Number(s)
  • 109-75-1
InChIKey SJNALLRHIVGIBI-UHFFFAOYSA-N
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Elements H C N