ChemSpider 2D Image | N'-{2-(2-Chlorophenyl)-6-[2-(4-chlorophenyl)-4-morpholinyl]-4-pyrimidinyl}-N,N-dimethyl-1,3-benzenediamine | C28H27Cl2N5O

N'-{2-(2-Chlorophenyl)-6-[2-(4-chlorophenyl)-4-morpholinyl]-4-pyrimidinyl}-N,N-dimethyl-1,3-benzenediamine

  • Molecular FormulaC28H27Cl2N5O
  • Average mass520.453 Da
  • Monoisotopic mass519.159241 Da
  • ChemSpider ID121506050

More details:

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

1,3-Benzenediamine, N3-[2-(2-chlorophenyl)-6-[2-(4-chlorophenyl)-4-morpholinyl]-4-pyrimidinyl]-N1,N1-dimethyl- [ACD/Index Name]
N'-{2-(2-Chlorophenyl)-6-[2-(4-chlorophenyl)-4-morpholinyl]-4-pyrimidinyl}-N,N-dimethyl-1,3-benzenediamine [ACD/IUPAC Name]
N'-{2-(2-Chlorophényl)-6-[2-(4-chlorophényl)-4-morpholinyl]-4-pyrimidinyl}-N,N-diméthyl-1,3-benzènediamine [French] [ACD/IUPAC Name]
N'-{2-(2-Chlorphenyl)-6-[2-(4-chlorphenyl)-4-morpholinyl]-4-pyrimidinyl}-N,N-dimethyl-1,3-benzoldiamin [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: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 3891.10
ACD/KOC (pH 5.5): 7942.76
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20440.32
ACD/KOC (pH 7.4): 41724.02
Polar Surface Area: 54 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 396.6±3.0 cm3

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