4-(4,4-Dimethyl-3-Oxopentyl)-1,2-Diphenyl-3,5-Pyrazolidinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C22H24N2O3
IUPAC Name 4-(4,4-dimethyl-3-oxo-pentyl)-1,2-diphenyl-pyrazolidine-3,5-dione
Molecular Mass 364.438 g·mol−1
Heat of Formation -284.9 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 449.11 Å 3
Surface Area 348.32 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-pyrazolidinedione, 4-(4,4-dimethyl-3-oxopentyl)-1,2-diphenyl-
  • 4-(3-keto-4,4-dimethyl-pentyl)-1,2-di(phenyl)pyrazolidine-3,5-quinone
  • 4-(4,4-dimethyl-3-oxo-pentyl)-1,2-di(phenyl)pyrazolidine-3,5-dione
  • 4-(4,4-dimethyl-3-oxopentyl)-1,2-di(phenyl)pyrazolidine-3,5-dione
  • benetazon
  • tribuzon
  • tribuzone
  • trimetazon
  • trimetazone
  • trimethazon
  • trimethazone
CAS Number(s)
  • 13221-27-7
InChIKey OFVFGKQCUDMLLP-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N