ChemSpider 2D Image | {3-[(E)-2-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}vinyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}malononitrile | C23H26ClN3

{3-[(E)-2-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}vinyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}malononitrile

  • Molecular FormulaC23H26ClN3
  • Average mass379.926 Da
  • Monoisotopic mass379.181519 Da
  • ChemSpider ID30658423

  • Double-bond stereo - Double-bond stereo

More details:

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

{3-[(E)-2-{4-[(2-Chlorethyl)(ethyl)amino]phenyl}vinyl]-5,5-dimethyl-2-cyclohexen-1-yliden}malononitril [German] [ACD/IUPAC Name]
{3-[(E)-2-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}vinyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}malononitrile [ACD/IUPAC Name]
{3-[(E)-2-{4-[(2-Chloroéthyl)(éthyl)amino]phényl}vinyl]-5,5-diméthyl-2-cyclohexén-1-ylidène}malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[3-[(E)-2-[4-[(2-chloroethyl)ethylamino]phenyl]ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]- [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: 557.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.6±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 3716.21
ACD/KOC (pH 5.5): 9509.21
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9544.04
ACD/KOC (pH 7.4): 24421.70
Polar Surface Area: 51 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 325.3±3.0 cm3

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