ChemSpider 2D Image | (2E)-3-[2-(Benzyloxy)-4-(diethylamino)phenyl]-2-formylacrylonitrile | C21H22N2O2

(2E)-3-[2-(Benzyloxy)-4-(diethylamino)phenyl]-2-formylacrylonitrile

  • Molecular FormulaC21H22N2O2
  • Average mass334.412 Da
  • Monoisotopic mass334.168121 Da
  • ChemSpider ID29436165

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[2-(Benzyloxy)-4-(diethylamino)phenyl]-2-formylacrylonitril [German] [ACD/IUPAC Name]
(2E)-3-[2-(Benzyloxy)-4-(diethylamino)phenyl]-2-formylacrylonitrile [ACD/IUPAC Name]
(2E)-3-[2-(Benzyloxy)-4-(diéthylamino)phényl]-2-formylacrylonitrile [French] [ACD/IUPAC Name]
2-Propenenitrile, 3-[4-(diethylamino)-2-(phenylmethoxy)phenyl]-2-formyl-, (2E)- [ACD/Index Name]
(E)-3-(2-(benzyloxy)-4-(diethylamino)phenyl)-2-formyl-acrylonitrile

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.8±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1200.32
ACD/KOC (pH 5.5): 5509.80
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1245.54
ACD/KOC (pH 7.4): 5717.38
Polar Surface Area: 53 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 293.1±3.0 cm3

Click to predict properties on the Chemicalize site


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