ChemSpider 2D Image | 3-(Benzylamino)-1-cyclododecyl-4-(2,6-dichlorophenyl)-1H-pyrrole-2,5-dione | C29H34Cl2N2O2

3-(Benzylamino)-1-cyclododecyl-4-(2,6-dichlorophenyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC29H34Cl2N2O2
  • Average mass513.498 Da
  • Monoisotopic mass512.199707 Da
  • ChemSpider ID125353972

More details:

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

1H-Pyrrole-2,5-dione, 1-cyclododecyl-3-(2,6-dichlorophenyl)-4-[(phenylmethyl)amino]- [ACD/Index Name]
3-(Benzylamino)-1-cyclododecyl-4-(2,6-dichlorophenyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(Benzylamino)-1-cyclododécyl-4-(2,6-dichlorophényl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(Benzylamino)-1-cyclododecyl-4-(2,6-dichlorphenyl)-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: 1.2±0.1 g/cm3
Boiling Point: 652.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.5±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.45
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 302313.66
ACD/KOC (pH 5.5): 291396.09
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 302318.97
ACD/KOC (pH 7.4): 291401.22
Polar Surface Area: 49 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

Click to predict properties on the Chemicalize site


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