ChemSpider 2D Image | [2-(Benzyloxy)-4-(diethylamino)benzylidene]malononitrile | C21H21N3O

[2-(Benzyloxy)-4-(diethylamino)benzylidene]malononitrile

  • Molecular FormulaC21H21N3O
  • Average mass331.411 Da
  • Monoisotopic mass331.168457 Da
  • ChemSpider ID26667103

More details:

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

[2-(Benzyloxy)-4-(diethylamino)benzyliden]malononitril [German] [ACD/IUPAC Name]
[2-(Benzyloxy)-4-(diethylamino)benzylidene]malononitrile [ACD/IUPAC Name]
[2-(Benzyloxy)-4-(diéthylamino)benzylidène]malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[[4-(diethylamino)-2-(phenylmethoxy)phenyl]methylene]- [ACD/Index Name]
2-(2-(benzyloxy)-4-(diethylamino)benzylidene)malononitrile

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

Density: 1.1±0.1 g/cm3
Boiling Point: 515.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.5±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1450.23
ACD/KOC (pH 5.5): 6375.10
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1451.04
ACD/KOC (pH 7.4): 6378.62
Polar Surface Area: 60 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 289.2±3.0 cm3

Click to predict properties on the Chemicalize site


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