ChemSpider 2D Image | 4-[2-({4-[Butyl(ethyl)amino]-6-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)-1-(dimethylamino)ethyl]phenol | C25H34FN7O

4-[2-({4-[Butyl(ethyl)amino]-6-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)-1-(dimethylamino)ethyl]phenol

  • Molecular FormulaC25H34FN7O
  • Average mass467.582 Da
  • Monoisotopic mass467.280884 Da
  • ChemSpider ID124580321

More details:

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

4-[2-({4-[Butyl(ethyl)amino]-6-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)-1-(dimethylamino)ethyl]phenol [ACD/IUPAC Name]
4-[2-({4-[Butyl(éthyl)amino]-6-[(3-fluorophényl)amino]-1,3,5-triazin-2-yl}amino)-1-(diméthylamino)éthyl]phénol [French] [ACD/IUPAC Name]
4-[2-({4-[Butyl(ethyl)amino]-6-[(3-fluorphenyl)amino]-1,3,5-triazin-2-yl}amino)-1-(dimethylamino)ethyl]phenol [German] [ACD/IUPAC Name]
Phenol, 4-[2-[[4-(butylethylamino)-6-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl]amino]-1-(dimethylamino)ethyl]- [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: 624.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 331.4±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 3.50
ACD/KOC (pH 5.5): 14.78
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 212.93
ACD/KOC (pH 7.4): 898.28
Polar Surface Area: 89 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 379.5±3.0 cm3

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