ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-N'-(3,4-dimethoxybenzyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine | C22H24ClFN6O3

N-(3-Chloro-4-fluorophenyl)-N'-(3,4-dimethoxybenzyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC22H24ClFN6O3
  • Average mass474.916 Da
  • Monoisotopic mass474.158234 Da
  • ChemSpider ID124654384

More details:

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

1,3,5-Triazine-2,4-diamine, N2-(3-chloro-4-fluorophenyl)-N4-[(3,4-dimethoxyphenyl)methyl]-6-(4-morpholinyl)- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-N'-(3,4-dimethoxybenzyl)-6-(4-morpholinyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-N'-(3,4-dimethoxybenzyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-N'-(3,4-diméthoxybenzyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine [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: 658.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.9±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 205.29
ACD/KOC (pH 5.5): 1500.47
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.97
ACD/KOC (pH 7.4): 1768.57
Polar Surface Area: 94 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 342.8±3.0 cm3

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