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

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

  • Molecular FormulaC22H28BrN7O
  • Average mass486.408 Da
  • Monoisotopic mass485.153870 Da
  • ChemSpider ID124538244

More details:

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

1-Propanol, 3-[[4-[(4-bromo-2-methylphenyl)amino]-6-[ethyl[2-(4-pyridinyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
3-[(4-[(4-Brom-2-methylphenyl)amino]-6-{ethyl[2-(4-pyridinyl)ethyl]amino}-1,3,5-triazin-2-yl)amino]-1-propanol [German] [ACD/IUPAC Name]
3-[(4-[(4-Bromo-2-methylphenyl)amino]-6-{ethyl[2-(4-pyridinyl)ethyl]amino}-1,3,5-triazin-2-yl)amino]-1-propanol [ACD/IUPAC Name]
3-[(4-[(4-Bromo-2-méthylphényl)amino]-6-{éthyl[2-(4-pyridinyl)éthyl]amino}-1,3,5-triazin-2-yl)amino]-1-propanol [French] [ACD/IUPAC 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: 679.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.7±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: 2.60
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 40.41
ACD/KOC (pH 5.5): 297.19
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 226.77
ACD/KOC (pH 7.4): 1667.77
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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