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

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

  • Molecular FormulaC22H28BrN7O
  • Average mass486.408 Da
  • Monoisotopic mass485.153870 Da
  • ChemSpider ID124550921

More details:

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

4-[2-({4-[(4-Brom-3-methylphenyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl}amino)-1-(dimethylamino)ethyl]phenol [German] [ACD/IUPAC Name]
4-[2-({4-[(4-Bromo-3-methylphenyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl}amino)-1-(dimethylamino)ethyl]phenol [ACD/IUPAC Name]
4-[2-({4-[(4-Bromo-3-méthylphényl)amino]-6-(diméthylamino)-1,3,5-triazin-2-yl}amino)-1-(diméthylamino)éthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[2-[[4-[(4-bromo-3-methylphenyl)amino]-6-(dimethylamino)-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: 1.4±0.1 g/cm3
Boiling Point: 631.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 335.6±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 45.29
ACD/KOC (pH 7.4): 298.15
Polar Surface Area: 89 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 341.7±3.0 cm3

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