ChemSpider 2D Image | 3-(3,4-Dichlorophenyl)-1-[3-(diethylamino)propyl]-4-(3-octanylamino)-1H-pyrrole-2,5-dione | C25H37Cl2N3O2

3-(3,4-Dichlorophenyl)-1-[3-(diethylamino)propyl]-4-(3-octanylamino)-1H-pyrrole-2,5-dione

  • Molecular FormulaC25H37Cl2N3O2
  • Average mass482.486 Da
  • Monoisotopic mass481.226288 Da
  • ChemSpider ID119306787

More details:

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

1H-Pyrrole-2,5-dione, 3-(3,4-dichlorophenyl)-1-[3-(diethylamino)propyl]-4-[(1-ethylhexyl)amino]- [ACD/Index Name]
3-(3,4-Dichlorophenyl)-1-[3-(diethylamino)propyl]-4-(3-octanylamino)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(3,4-Dichlorophényl)-1-[3-(diéthylamino)propyl]-4-(3-octanylamino)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(3,4-Dichlorphenyl)-1-[3-(diethylamino)propyl]-4-(3-octanylamino)-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: 576.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.6±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 66.88
ACD/KOC (pH 5.5): 93.29
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 180.91
ACD/KOC (pH 7.4): 252.34
Polar Surface Area: 53 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 410.8±5.0 cm3

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