ChemSpider 2D Image | N'-[2-(2-Chlorophenyl)-6-(5-phenyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)-4-pyrimidinyl]-N,N-dimethyl-1,4-benzenediamine | C34H30ClN5O2

N'-[2-(2-Chlorophenyl)-6-(5-phenyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)-4-pyrimidinyl]-N,N-dimethyl-1,4-benzenediamine

  • Molecular FormulaC34H30ClN5O2
  • Average mass576.087 Da
  • Monoisotopic mass575.208801 Da
  • ChemSpider ID121529413

More details:

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

1,4-Benzenediamine, N4-[2-(2-chlorophenyl)-6-(7,8-dihydro-5-phenyl-1,3-dioxolo[4,5-g]isoquinolin-6(5H)-yl)-4-pyrimidinyl]-N1,N1-dimethyl- [ACD/Index Name]
N'-[2-(2-Chlorophényl)-6-(5-phényl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoléin-6(5H)-yl)-4-pyrimidinyl]-N,N-diméthyl-1,4-benzènediamine [French] [ACD/IUPAC Name]
N'-[2-(2-Chlorophenyl)-6-(5-phenyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)-4-pyrimidinyl]-N,N-dimethyl-1,4-benzenediamine [ACD/IUPAC Name]
N'-[2-(2-Chlorphenyl)-6-(5-phenyl-7,8-dihydro[1,3]dioxolo[4,5-g]isochinolin-6(5H)-yl)-4-pyrimidinyl]-N,N-dimethyl-1,4-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: 696.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 166.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 21183.60
ACD/KOC (pH 5.5): 34697.18
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 46129.28
ACD/KOC (pH 7.4): 75556.38
Polar Surface Area: 63 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 434.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement