ChemSpider 2D Image | 4-({5-[4-(2,3-Dichlorophenyl)-1-piperazinyl]-5-oxopentyl}amino)-2,2-diphenylbutanenitrile | C31H34Cl2N4O

4-({5-[4-(2,3-Dichlorophenyl)-1-piperazinyl]-5-oxopentyl}amino)-2,2-diphenylbutanenitrile

  • Molecular FormulaC31H34Cl2N4O
  • Average mass549.534 Da
  • Monoisotopic mass548.210938 Da
  • ChemSpider ID129217406

More details:

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

4-({5-[4-(2,3-Dichlorophenyl)-1-piperazinyl]-5-oxopentyl}amino)-2,2-diphenylbutanenitrile [ACD/IUPAC Name]
4-({5-[4-(2,3-Dichlorophényl)-1-pipérazinyl]-5-oxopentyl}amino)-2,2-diphénylbutanenitrile [French] [ACD/IUPAC Name]
4-({5-[4-(2,3-Dichlorphenyl)-1-piperazinyl]-5-oxopentyl}amino)-2,2-diphenylbutannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[2-[[5-[4-(2,3-dichlorophenyl)-1-piperazinyl]-5-oxopentyl]amino]ethyl]-α-phenyl- [ACD/Index 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: 740.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.4±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 19.15
ACD/KOC (pH 5.5): 39.34
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 206.16
ACD/KOC (pH 7.4): 423.62
Polar Surface Area: 59 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 450.3±3.0 cm3

Click to predict properties on the Chemicalize site


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