ChemSpider 2D Image | 5-({4-[(4-Bromo-3-methylphenyl)amino]-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)-1-pentanol | C18H27BrN6O2

5-({4-[(4-Bromo-3-methylphenyl)amino]-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)-1-pentanol

  • Molecular FormulaC18H27BrN6O2
  • Average mass439.350 Da
  • Monoisotopic mass438.137878 Da
  • ChemSpider ID124544107

More details:

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

1-Pentanol, 5-[[4-[(4-bromo-3-methylphenyl)amino]-6-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
5-({4-[(4-Brom-3-methylphenyl)amino]-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)-1-pentanol [German] [ACD/IUPAC Name]
5-({4-[(4-Bromo-3-methylphenyl)amino]-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)-1-pentanol [ACD/IUPAC Name]
5-({4-[(4-Bromo-3-méthylphényl)amino]-6-[(2-hydroxyéthyl)(méthyl)amino]-1,3,5-triazin-2-yl}amino)-1-pentanol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.0±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 18.32
ACD/KOC (pH 5.5): 244.93
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.74
ACD/KOC (pH 7.4): 384.31
Polar Surface Area: 106 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 302.6±3.0 cm3

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