ChemSpider 2D Image | N-(2-Chlorophenyl)-N'-(3-chlorophenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-2-(2-methyl-2-propanyl)-4,6-pyrimidinediamine | C27H34Cl2N6

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

  • Molecular FormulaC27H34Cl2N6
  • Average mass513.505 Da
  • Monoisotopic mass512.222229 Da
  • ChemSpider ID121475177

More details:

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

4,6-Pyrimidinediamine, N4-(2-chlorophenyl)-N6-(3-chlorophenyl)-2-(1,1-dimethylethyl)-N4-[2-(4-methyl-1-piperazinyl)ethyl]- [ACD/Index Name]
N-(2-Chlorophenyl)-N'-(3-chlorophenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-2-(2-methyl-2-propanyl)-4,6-pyrimidinediamine [ACD/IUPAC Name]
N-(2-Chlorophényl)-N'-(3-chlorophényl)-N-[2-(4-méthyl-1-pipérazinyl)éthyl]-2-(2-méthyl-2-propanyl)-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N-(2-Chlorphenyl)-N'-(3-chlorphenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-2-(2-methyl-2-propanyl)-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.1±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 33.43
ACD/KOC (pH 5.5): 59.17
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 12101.64
ACD/KOC (pH 7.4): 21420.52
Polar Surface Area: 48 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 418.2±3.0 cm3

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