ChemSpider 2D Image | N,N-Diethyl-2-(4-methoxyphenyl)-N'-(2,4,6-trichlorophenyl)-4,6-pyrimidinediamine | C21H21Cl3N4O

N,N-Diethyl-2-(4-methoxyphenyl)-N'-(2,4,6-trichlorophenyl)-4,6-pyrimidinediamine

  • Molecular FormulaC21H21Cl3N4O
  • Average mass451.777 Da
  • Monoisotopic mass450.078094 Da
  • ChemSpider ID67308736

More details:






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

4,6-Pyrimidinediamine, N4,N4-diethyl-2-(4-methoxyphenyl)-N6-(2,4,6-trichlorophenyl)- [ACD/Index Name]
N,N-Diethyl-2-(4-methoxyphenyl)-N'-(2,4,6-trichlorophenyl)-4,6-pyrimidinediamine [ACD/IUPAC Name]
N,N-Diéthyl-2-(4-méthoxyphényl)-N'-(2,4,6-trichlorophényl)-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N,N-Diethyl-2-(4-methoxyphenyl)-N'-(2,4,6-trichlorphenyl)-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 486.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.1±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 43300.10
ACD/KOC (pH 5.5): 68693.48
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52228.89
ACD/KOC (pH 7.4): 82858.55
Polar Surface Area: 50 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 338.1±3.0 cm3

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