ChemSpider 2D Image | 4-({4-(Mesitylamino)-6-[3-(4-morpholinyl)propoxy]-1,3,5-triazin-2-yl}amino)benzonitrile | C26H31N7O2

4-({4-(Mesitylamino)-6-[3-(4-morpholinyl)propoxy]-1,3,5-triazin-2-yl}amino)benzonitrile

  • Molecular FormulaC26H31N7O2
  • Average mass473.570 Da
  • Monoisotopic mass473.253937 Da
  • ChemSpider ID30819231

More details:






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

4-({4-(Mesitylamino)-6-[3-(4-morpholinyl)propoxy]-1,3,5-triazin-2-yl}amino)benzonitril [German] [ACD/IUPAC Name]
4-({4-(Mesitylamino)-6-[3-(4-morpholinyl)propoxy]-1,3,5-triazin-2-yl}amino)benzonitrile [ACD/IUPAC Name]
4-({4-(Mésitylamino)-6-[3-(4-morpholinyl)propoxy]-1,3,5-triazin-2-yl}amino)benzonitrile [French] [ACD/IUPAC Name]
4-({4-[3-(Morpholin-4-Yl)propoxy]-6-[(2,4,6-Trimethylphenyl)amino]-1,3,5-Triazin-2-Yl}amino)benzonitrile
Benzonitrile, 4-[[4-[3-(4-morpholinyl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
2RS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 677.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 20.64
ACD/KOC (pH 5.5): 126.32
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 357.44
ACD/KOC (pH 7.4): 2187.91
Polar Surface Area: 108 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 372.6±5.0 cm3

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