ChemSpider 2D Image | 3-{(E)-[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]amino}benzonitrile | C22H26N2O

3-{(E)-[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]amino}benzonitrile

  • Molecular FormulaC22H26N2O
  • Average mass334.455 Da
  • Monoisotopic mass334.204498 Da
  • ChemSpider ID24742223

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(E)-[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzyliden]amino}benzonitril [German] [ACD/IUPAC Name]
3-{(E)-[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]amino}benzonitrile [ACD/IUPAC Name]
3-{(E)-[2-Hydroxy-3,5-bis(2-méthyl-2-propanyl)benzylidène]amino}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[(1E)-[3,5-bis(1,1-dimethylethyl)-2-hydroxyphenyl]methylene]amino]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 461.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 233.0±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 104.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 20039.29
ACD/KOC (pH 5.5): 41764.49
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19963.70
ACD/KOC (pH 7.4): 41606.95
Polar Surface Area: 56 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 34.9±7.0 dyne/cm
Molar Volume: 333.9±7.0 cm3

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