3-(Methylnitrosamino)Propionitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C4H7N3O
IUPAC Name n-(2-cyanoethyl)-n-methyl-nitrous amide
Molecular Mass 113.118 g·mol−1
Heat of Formation 119.1 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 145.76 Å 3
Surface Area 155.36 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(methylnitrosoamino)propanenitrile
  • 3-(methylnitrosoamino)propionitrile
  • 3-(n-nitrosomethylamino)propionitrile
  • 3-methylnitrosaminopropionitrile
  • mnpn
  • n-(2-cyanoethyl)-n-methyl-nitrous amide
  • n-(2-cyanoethyl)-n-methylnitrous amide
  • propanenitrile, 3-(methylnitrosoamino)-
  • propanenitrile, 3-(methylnitrosoamino)-, (4alpha)-
  • propionitrile, 3-(methylnitrosamino)-
CAS Number(s)
  • 60153-49-3
InChIKey HZDLDFBKYBGNHG-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N