ChemSpider 2D Image | 2-[{4-[(4-Bromo-3-methylphenyl)amino]-6-[(4-pyridinylmethyl)amino]-1,3,5-triazin-2-yl}(butyl)amino]ethanol | C22H28BrN7O

2-[{4-[(4-Bromo-3-methylphenyl)amino]-6-[(4-pyridinylmethyl)amino]-1,3,5-triazin-2-yl}(butyl)amino]ethanol

  • Molecular FormulaC22H28BrN7O
  • Average mass486.408 Da
  • Monoisotopic mass485.153870 Da
  • ChemSpider ID124538549

More details:

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

2-[{4-[(4-Brom-3-methylphenyl)amino]-6-[(4-pyridinylmethyl)amino]-1,3,5-triazin-2-yl}(butyl)amino]ethanol [German] [ACD/IUPAC Name]
2-[{4-[(4-Bromo-3-methylphenyl)amino]-6-[(4-pyridinylmethyl)amino]-1,3,5-triazin-2-yl}(butyl)amino]ethanol [ACD/IUPAC Name]
2-[{4-[(4-Bromo-3-méthylphényl)amino]-6-[(4-pyridinylméthyl)amino]-1,3,5-triazin-2-yl}(butyl)amino]éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[4-[(4-bromo-3-methylphenyl)amino]-6-[(4-pyridinylmethyl)amino]-1,3,5-triazin-2-yl]butylamino]- [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: 673.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.0±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 330.86
ACD/KOC (pH 5.5): 1913.83
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 547.96
ACD/KOC (pH 7.4): 3169.61
Polar Surface Area: 99 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 342.5±3.0 cm3

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