ChemSpider 2D Image | 4,4'-[(2-Butoxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) | C33H36N4O3

4,4'-[(2-Butoxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)

  • Molecular FormulaC33H36N4O3
  • Average mass536.664 Da
  • Monoisotopic mass536.278748 Da
  • ChemSpider ID3177870

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3H-Pyrazol-3-one, 4,4'-[(2-butoxyphenyl)methylene]bis[1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4,4'-[(2-Butoxyphenyl)methylen]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on) [German] [ACD/IUPAC Name]
4,4'-[(2-Butoxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) [ACD/IUPAC Name]
4,4'-[(2-Butoxyphényl)méthylène]bis(1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one) [French] [ACD/IUPAC Name]
4,4'-((2-butoxyphenyl)methylene)bis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)
4,4'-[(2-butoxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(2-butoxyphenyl)methyl]-2,3- dimethyl-1-phenyl-3-pyrazolin-5-one
4-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(2-butoxyphenyl)methyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 657.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 156.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 597.64
ACD/KOC (pH 5.5): 3380.47
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 597.66
ACD/KOC (pH 7.4): 3380.55
Polar Surface Area: 56 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 446.7±3.0 cm3

Click to predict properties on the Chemicalize site


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