ChemSpider 2D Image | 2-(Benzyl{4-[(3,5-dichlorophenyl)amino]-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}amino)ethanol | C25H23Cl2FN6O

2-(Benzyl{4-[(3,5-dichlorophenyl)amino]-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}amino)ethanol

  • Molecular FormulaC25H23Cl2FN6O
  • Average mass513.394 Da
  • Monoisotopic mass512.129456 Da
  • ChemSpider ID124561633

More details:

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

2-(Benzyl{4-[(3,5-dichlorophenyl)amino]-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}amino)ethanol [ACD/IUPAC Name]
2-(Benzyl{4-[(3,5-dichlorophényl)amino]-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}amino)éthanol [French] [ACD/IUPAC Name]
2-(Benzyl{4-[(3,5-dichlorphenyl)amino]-6-[(2-fluorbenzyl)amino]-1,3,5-triazin-2-yl}amino)ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[4-[(3,5-dichlorophenyl)amino]-6-[[(2-fluorophenyl)methyl]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: 1.4±0.1 g/cm3
Boiling Point: 707.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.6±35.7 °C
Index of Refraction: 1.707
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7417.36
ACD/KOC (pH 5.5): 20282.16
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7707.71
ACD/KOC (pH 7.4): 21076.09
Polar Surface Area: 86 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 356.1±3.0 cm3

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