ChemSpider 2D Image | 3-(Cyclododecylamino)-4-(2,3-dichlorophenyl)-1-(4-methoxybenzyl)-1H-pyrrole-2,5-dione | C30H36Cl2N2O3

3-(Cyclododecylamino)-4-(2,3-dichlorophenyl)-1-(4-methoxybenzyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC30H36Cl2N2O3
  • Average mass543.524 Da
  • Monoisotopic mass542.210327 Da
  • ChemSpider ID125408271

More details:

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

1H-Pyrrole-2,5-dione, 3-(cyclododecylamino)-4-(2,3-dichlorophenyl)-1-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
3-(Cyclododecylamino)-4-(2,3-dichlorophenyl)-1-(4-methoxybenzyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(Cyclododécylamino)-4-(2,3-dichlorophényl)-1-(4-méthoxybenzyl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(Cyclododecylamino)-4-(2,3-dichlorphenyl)-1-(4-methoxybenzyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 218709.72
ACD/KOC (pH 5.5): 231126.95
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 218714.03
ACD/KOC (pH 7.4): 231131.52
Polar Surface Area: 59 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 433.5±5.0 cm3

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