ChemSpider 2D Image | 4-({4-[(2-Methyl-2-propanyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl}amino)-2-pyridinecarbonitrile | C19H17F3N8

4-({4-[(2-Methyl-2-propanyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl}amino)-2-pyridinecarbonitrile

  • Molecular FormulaC19H17F3N8
  • Average mass414.387 Da
  • Monoisotopic mass414.152832 Da
  • ChemSpider ID90652858

More details:

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

2-Pyridinecarbonitrile, 4-[[4-[(1,1-dimethylethyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
4-({4-[(2-Methyl-2-propanyl)amino]-6-[6-(trifluormethyl)-2-pyridinyl]-1,3,5-triazin-2-yl}amino)-2-pyridincarbonitril [German] [ACD/IUPAC Name]
4-({4-[(2-Methyl-2-propanyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl}amino)-2-pyridinecarbonitrile [ACD/IUPAC Name]
4-({4-[(2-Méthyl-2-propanyl)amino]-6-[6-(trifluorométhyl)-2-pyridinyl]-1,3,5-triazin-2-yl}amino)-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.4±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 255.65
ACD/KOC (pH 5.5): 1840.58
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.74
ACD/KOC (pH 7.4): 1841.22
Polar Surface Area: 112 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 294.8±5.0 cm3

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