ChemSpider 2D Image | Ethyl (2E)-2-cyano-3-{4-(diethylamino)-2-[(4-iodobenzyl)oxy]phenyl}acrylate | C23H25IN2O3

Ethyl (2E)-2-cyano-3-{4-(diethylamino)-2-[(4-iodobenzyl)oxy]phenyl}acrylate

  • Molecular FormulaC23H25IN2O3
  • Average mass504.361 Da
  • Monoisotopic mass504.090973 Da
  • ChemSpider ID79586802

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Cyano-3-{4-(diéthylamino)-2-[(4-iodobenzyl)oxy]phényl}acrylate d'éthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-cyano-3-{4-(diethylamino)-2-[(4-iodobenzyl)oxy]phenyl}acrylate [ACD/IUPAC Name]
Ethyl-(2E)-2-cyan-3-{4-(diethylamino)-2-[(4-iodbenzyl)oxy]phenyl}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.6±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14175.81
ACD/KOC (pH 5.5): 32363.22
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14544.98
ACD/KOC (pH 7.4): 33206.02
Polar Surface Area: 63 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 354.4±3.0 cm3

Click to predict properties on the Chemicalize site


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