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

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

  • Molecular FormulaC22H28BrN7O
  • Average mass486.408 Da
  • Monoisotopic mass485.153870 Da
  • ChemSpider ID124500246

More details:

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

2-[Benzyl(4-[(4-bromophenyl)amino]-6-{[2-(dimethylamino)ethyl]amino}-1,3,5-triazin-2-yl)amino]ethanol [ACD/IUPAC Name]
2-[Benzyl(4-[(4-bromophényl)amino]-6-{[2-(diméthylamino)éthyl]amino}-1,3,5-triazin-2-yl)amino]éthanol [French] [ACD/IUPAC Name]
2-[Benzyl(4-[(4-bromphenyl)amino]-6-{[2-(dimethylamino)ethyl]amino}-1,3,5-triazin-2-yl)amino]ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[4-[(4-bromophenyl)amino]-6-[[2-(dimethylamino)ethyl]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: 654.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.5±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 20.34
Polar Surface Area: 89 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 340.3±3.0 cm3

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