ChemSpider 2D Image | N'-(3-Chloro-2-methylphenyl)-N-(2-chlorophenyl)-2-methyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-4,6-pyrimidinediamine | C25H30Cl2N6

N'-(3-Chloro-2-methylphenyl)-N-(2-chlorophenyl)-2-methyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-4,6-pyrimidinediamine

  • Molecular FormulaC25H30Cl2N6
  • Average mass485.452 Da
  • Monoisotopic mass484.190887 Da
  • ChemSpider ID121547379

More details:

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

4,6-Pyrimidinediamine, N6-(3-chloro-2-methylphenyl)-N4-(2-chlorophenyl)-2-methyl-N4-[2-(4-methyl-1-piperazinyl)ethyl]- [ACD/Index Name]
N'-(3-Chlor-2-methylphenyl)-N-(2-chlorphenyl)-2-methyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
N'-(3-Chloro-2-methylphenyl)-N-(2-chlorophenyl)-2-methyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-4,6-pyrimidinediamine [ACD/IUPAC Name]
N'-(3-Chloro-2-méthylphényl)-N-(2-chlorophényl)-2-méthyl-N-[2-(4-méthyl-1-pipérazinyl)éthyl]-4,6-pyrimidinediamine [French] [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: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.2±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 11.19
ACD/KOC (pH 5.5): 27.08
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 4024.26
ACD/KOC (pH 7.4): 9743.50
Polar Surface Area: 48 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 384.0±3.0 cm3

Click to predict properties on the Chemicalize site


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