ChemSpider 2D Image | N'-(2,4-Dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-2-[4-(2-methyl-2-propanyl)phenyl]-4,6-pyrimidinediamine | C26H28Cl2N6

N'-(2,4-Dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-2-[4-(2-methyl-2-propanyl)phenyl]-4,6-pyrimidinediamine

  • Molecular FormulaC26H28Cl2N6
  • Average mass495.447 Da
  • Monoisotopic mass494.175262 Da
  • ChemSpider ID121597145

More details:

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

4,6-Pyrimidinediamine, N6-(2,4-dichlorophenyl)-2-[4-(1,1-dimethylethyl)phenyl]-N4-[2-(1H-imidazol-5-yl)ethyl]-N4-methyl- [ACD/Index Name]
N'-(2,4-Dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-2-[4-(2-methyl-2-propanyl)phenyl]-4,6-pyrimidinediamine [ACD/IUPAC Name]
N'-(2,4-Dichlorophényl)-N-[2-(1H-imidazol-5-yl)éthyl]-N-méthyl-2-[4-(2-méthyl-2-propanyl)phényl]-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N'-(2,4-Dichlorphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-2-[4-(2-methyl-2-propanyl)phenyl]-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.9±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 727.50
ACD/KOC (pH 5.5): 1113.21
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 27212.78
ACD/KOC (pH 7.4): 41640.86
Polar Surface Area: 70 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 384.5±3.0 cm3

Click to predict properties on the Chemicalize site


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