ChemSpider 2D Image | N-(2-Chlorophenyl)-2-(4-ethoxyphenyl)-N'-(4-methylphenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4,6-pyrimidinediamine | C32H37ClN6O

N-(2-Chlorophenyl)-2-(4-ethoxyphenyl)-N'-(4-methylphenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4,6-pyrimidinediamine

  • Molecular FormulaC32H37ClN6O
  • Average mass557.129 Da
  • Monoisotopic mass556.271729 Da
  • ChemSpider ID121581029

More details:

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

4,6-Pyrimidinediamine, N4-(2-chlorophenyl)-2-(4-ethoxyphenyl)-N6-(4-methylphenyl)-N4-[2-(4-methyl-1-piperazinyl)ethyl]- [ACD/Index Name]
N-(2-Chlorophenyl)-2-(4-ethoxyphenyl)-N'-(4-methylphenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4,6-pyrimidinediamine [ACD/IUPAC Name]
N-(2-Chlorophényl)-2-(4-éthoxyphényl)-N'-(4-méthylphényl)-N-[2-(4-méthyl-1-pipérazinyl)éthyl]-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N-(2-Chlorphenyl)-2-(4-ethoxyphenyl)-N'-(4-methylphenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-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: 659.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 66.48
ACD/KOC (pH 5.5): 132.47
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 8733.87
ACD/KOC (pH 7.4): 17402.88
Polar Surface Area: 57 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 461.6±3.0 cm3

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