ChemSpider 2D Image | 2-[Benzyl(4-{[2-(diethylamino)ethyl]amino}-6-[(3-fluoro-4-methylphenyl)amino]-1,3,5-triazin-2-yl)amino]ethanol | C25H34FN7O

2-[Benzyl(4-{[2-(diethylamino)ethyl]amino}-6-[(3-fluoro-4-methylphenyl)amino]-1,3,5-triazin-2-yl)amino]ethanol

  • Molecular FormulaC25H34FN7O
  • Average mass467.582 Da
  • Monoisotopic mass467.280884 Da
  • ChemSpider ID124569846

More details:

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

2-[Benzyl(4-{[2-(diethylamino)ethyl]amino}-6-[(3-fluor-4-methylphenyl)amino]-1,3,5-triazin-2-yl)amino]ethanol [German] [ACD/IUPAC Name]
2-[Benzyl(4-{[2-(diethylamino)ethyl]amino}-6-[(3-fluoro-4-methylphenyl)amino]-1,3,5-triazin-2-yl)amino]ethanol [ACD/IUPAC Name]
2-[Benzyl(4-{[2-(diéthylamino)éthyl]amino}-6-[(3-fluoro-4-méthylphényl)amino]-1,3,5-triazin-2-yl)amino]éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[4-[[2-(diethylamino)ethyl]amino]-6-[(3-fluoro-4-methylphenyl)amino]-1,3,5-triazin-2-yl](phenylmethyl)amino]- [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: 644.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.3±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 12.26
Polar Surface Area: 89 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 377.6±3.0 cm3

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