ChemSpider 2D Image | 2-[(4-{[2-(4-Fluorophenyl)ethyl]amino}-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl)(methyl)amino]ethanol | C21H22F4N6O

2-[(4-{[2-(4-Fluorophenyl)ethyl]amino}-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl)(methyl)amino]ethanol

  • Molecular FormulaC21H22F4N6O
  • Average mass450.433 Da
  • Monoisotopic mass450.179108 Da
  • ChemSpider ID124510975

More details:

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

2-[(4-{[2-(4-Fluorophenyl)ethyl]amino}-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl)(methyl)amino]ethanol [ACD/IUPAC Name]
2-[(4-{[2-(4-Fluorophényl)éthyl]amino}-6-{[3-(trifluorométhyl)phényl]amino}-1,3,5-triazin-2-yl)(méthyl)amino]éthanol [French] [ACD/IUPAC Name]
2-[(4-{[2-(4-Fluorphenyl)ethyl]amino}-6-{[3-(trifluormethyl)phenyl]amino}-1,3,5-triazin-2-yl)(methyl)amino]ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[4-[[2-(4-fluorophenyl)ethyl]amino]-6-[[3-(trifluoromethyl)phenyl]amino]-1,3,5-triazin-2-yl]methylamino]- [ACD/Index 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: 598.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.8±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 206.45
ACD/KOC (pH 5.5): 1432.23
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.88
ACD/KOC (pH 7.4): 2011.04
Polar Surface Area: 86 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

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