ChemSpider 2D Image | 9-{3-Bromo-4-[(3,5-dimethylbenzyl)oxy]-5-methoxyphenyl}-10-ethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione | C31H34BrNO4

9-{3-Bromo-4-[(3,5-dimethylbenzyl)oxy]-5-methoxyphenyl}-10-ethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

  • Molecular FormulaC31H34BrNO4
  • Average mass564.510 Da
  • Monoisotopic mass563.167114 Da
  • ChemSpider ID81310468

More details:

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

1,8(2H,5H)-Acridinedione, 9-[3-bromo-4-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-10-ethyl-3,4,6,7,9,10-hexahydro- [ACD/Index Name]
9-{3-Brom-4-[(3,5-dimethylbenzyl)oxy]-5-methoxyphenyl}-10-ethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridindion [German] [ACD/IUPAC Name]
9-{3-Bromo-4-[(3,5-dimethylbenzyl)oxy]-5-methoxyphenyl}-10-ethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [ACD/IUPAC Name]
9-{3-Bromo-4-[(3,5-diméthylbenzyl)oxy]-5-méthoxyphényl}-10-éthyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 673.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.3±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21944.29
ACD/KOC (pH 5.5): 44574.79
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21946.84
ACD/KOC (pH 7.4): 44579.98
Polar Surface Area: 56 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 412.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement