ChemSpider 2D Image | 4-({4-Methoxy-6-[2-(4-morpholinyl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile | C22H30N6O4

4-({4-Methoxy-6-[2-(4-morpholinyl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile

  • Molecular FormulaC22H30N6O4
  • Average mass442.511 Da
  • Monoisotopic mass442.232849 Da
  • ChemSpider ID35033716

More details:

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

4-({4-Methoxy-6-[2-(4-morpholinyl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitril [German] [ACD/IUPAC Name]
4-({4-Methoxy-6-[2-(4-morpholinyl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile [ACD/IUPAC Name]
4-({4-Méthoxy-6-[2-(4-morpholinyl)éthoxy]-1,3,5-triazin-2-yl}amino)-2-(3-méthylbutoxy)benzonitrile [French] [ACD/IUPAC Name]
4-({4-Methoxy-6-[2-(Morpholin-4-Yl)ethoxy]-1,3,5-Triazin-2-Yl}amino)-2-(3-Methylbutoxy)benzonitrile
Benzonitrile, 4-[[4-methoxy-6-[2-(4-morpholinyl)ethoxy]-1,3,5-triazin-2-yl]amino]-2-(3-methylbutoxy)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.9±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 39.43
ACD/KOC (pH 5.5): 387.82
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.11
ACD/KOC (pH 7.4): 827.22
Polar Surface Area: 115 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 352.4±5.0 cm3

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