ChemSpider 2D Image | N~4~,N~4~-Diethyl-N~1~-[6-(4-ethyl-1-piperazinyl)-2-(3-methylphenyl)-4-pyrimidinyl]-2-methyl-1,4-benzenediamine | C28H38N6

N4,N4-Diethyl-N1-[6-(4-ethyl-1-piperazinyl)-2-(3-methylphenyl)-4-pyrimidinyl]-2-methyl-1,4-benzenediamine

  • Molecular FormulaC28H38N6
  • Average mass458.642 Da
  • Monoisotopic mass458.315796 Da
  • ChemSpider ID67262293

More details:

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

1,4-Benzenediamine, N4,N4-diethyl-N1-[6-(4-ethyl-1-piperazinyl)-2-(3-methylphenyl)-4-pyrimidinyl]-2-methyl- [ACD/Index Name]
N4,N4-Diethyl-N1-[6-(4-ethyl-1-piperazinyl)-2-(3-methylphenyl)-4-pyrimidinyl]-2-methyl-1,4-benzenediamine [ACD/IUPAC Name]
N4,N4-Diéthyl-N1-[6-(4-éthyl-1-pipérazinyl)-2-(3-méthylphényl)-4-pyrimidinyl]-2-méthyl-1,4-benzènediamine [French] [ACD/IUPAC Name]
N4,N4-Diethyl-N1-[6-(4-ethyl-1-piperazinyl)-2-(3-methylphenyl)-4-pyrimidinyl]-2-methyl-1,4-benzoldiamin [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 574.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 2.85
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 1869.12
ACD/KOC (pH 7.4): 5259.11
Polar Surface Area: 48 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 411.7±3.0 cm3

Click to predict properties on the Chemicalize site


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