4,4'-(3-Oxo-1,5-Pentanediyl)Bis(N-Allyl-N,N-Dimethylanilinium)

Molecule SVG Image

Properties Simple | Detailed

Formula C27H38N2O++
IUPAC Name allyl-[4-[5-[4-[allyl(dimethyl)ammonio]phenyl]-3-oxo-pentyl]phenyl]-dimethyl-ammonium
Molecular Mass 406.603 g·mol−1
Heat of Formation 675.3 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 563.54 Å 3
Surface Area 481.41 Å 2
HOMO Energy -2.58 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(5-{4-[dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-n,n-dimethyl-n-prop-2-enylbenzenaminium
  • [4-[5-[4-(dimethyl-prop-2-enyl-azaniumyl)phenyl]-3-oxo-pentyl]phenyl]-dimethyl-prop-2-enyl-azanium
  • allyl-[4-[5-[4-(allyl-dimethyl-ammonio)phenyl]-3-keto-pentyl]phenyl]-dimethyl-ammonium
  • allyl-[4-[5-[4-(allyl-dimethyl-ammonio)phenyl]-3-oxo-pentyl]phenyl]-dimethyl-ammonium
  • allyl-[4-[5-[4-(allyl-dimethylammonio)phenyl]-3-oxopentyl]phenyl]-dimethylammonium
  • ebw
InChIKey ZAEXMNKDGJNLTA-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N