ChemSpider 2D Image | 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}(~2~H_4_)benzonitrile | C20H15D4N5

4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}(2H4)benzonitrile

  • Molecular FormulaC20H15D4N5
  • Average mass333.423 Da
  • Monoisotopic mass333.189148 Da
  • ChemSpider ID110801198
  • Non-standard isotope - Non-standard isotope


More details:






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

4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}(2H4)benzonitril [German] [ACD/IUPAC Name]
4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}(2H4)benzonitrile [ACD/IUPAC Name]
4-{[4-(Mésitylamino)-2-pyrimidinyl]amino}(2H4)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,3,5,6-d4, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 272.08
ACD/KOC (pH 5.5): 1538.24
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 589.69
ACD/KOC (pH 7.4): 3333.92
Polar Surface Area: 74 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 267.7±5.0 cm3

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