ChemSpider 2D Image | 4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-dimethylphenyl}amino)-2-pyrimidinyl]amino}benzonitrile | C22H18N6

4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-dimethylphenyl}amino)-2-pyrimidinyl]amino}benzonitrile

  • Molecular FormulaC22H18N6
  • Average mass366.418 Da
  • Monoisotopic mass366.159302 Da
  • ChemSpider ID26470877

More details:

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

4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-dimethylphenyl}amino)-2-pyrimidinyl]amino}benzonitrile [ACD/IUPAC Name]
4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-diméthylphényl}amino)-2-pyrimidinyl]amino}benzonitrile [French] [ACD/IUPAC Name]
4-{[4-({4-[(E)-2-Cyanvinyl]-2,6-dimethylphenyl}amino)-2-pyrimidinyl]amino}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
1312424-26-2 [RN]
4-[(4-{[4-(2-Cyanovinyl)-2,6-dimethylphenyl]amino}-2-pyrimidinyl)amino]benzonitrile [ACD/IUPAC Name]
4-[(4-{[4-(2-Cyanovinyl)-2,6-diméthylphényl]amino}-2-pyrimidinyl)amino]benzonitrile [French] [ACD/IUPAC Name]
4-[(4-{[4-(2-Cyanvinyl)-2,6-dimethylphenyl]amino}-2-pyrimidinyl)amino]benzonitril [German] [ACD/IUPAC Name]
500287-72-9 [RN]
Benzonitrile, 4-[[4-[[4-(2-cyanoethenyl)-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 634.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.3±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 215.56
ACD/KOC (pH 5.5): 1437.69
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.39
ACD/KOC (pH 7.4): 2216.90
Polar Surface Area: 97 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 287.0±5.0 cm3

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