Tiglonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7N
IUPAC Name (e)-2-methylbut-2-enenitrile
Molecular Mass 81.116 g·mol−1
Heat of Formation 103.7 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 119.84 Å 3
Surface Area 133.17 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-methylbut-2-enenitrile
  • (e)-2-methyl-2-butenenitrile
  • (e)-2-methylbut-2-enenitrile
  • 2,3-dimethylacrylonitrile
  • 2-butenenitrile, 2-methyl-
  • 2-butenenitrile, 2-methyl-, (2e)-
  • 2-butenenitrile, 2-methyl-, (e)-
  • 2-methylbut-2-enenitrile
  • 2-methylcrotononitrile
  • alpha,beta-dimethylacrylonitrile
  • alpha-methylcrotononitrile
  • crotononitrile, 2-methyl- (8ci)
CAS Number(s)
  • 4403-61-6
  • 30574-97-1
InChIKey IHXNSHZBFXGOJM-HWKANZROSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N