ChemSpider 2D Image | 2-Amino-4-{5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl}-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C34H34ClN3O3

2-Amino-4-{5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl}-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC34H34ClN3O3
  • Average mass568.105 Da
  • Monoisotopic mass567.228882 Da
  • ChemSpider ID4223681

More details:

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

2-Amino-4-{5-[(4-chlorophénoxy)méthyl]-2,4-diméthylphényl}-1-(4-méthoxyphényl)-7,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
2-Amino-4-{5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl}-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
2-Amino-4-{5-[(4-chlorphenoxy)methyl]-2,4-dimethylphenyl}-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-4-[5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl]-1,4,5,6,7,8-hexahydro-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo- [ACD/Index 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: 763.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.6±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 75879.85
ACD/KOC (pH 5.5): 106507.92
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80500.83
ACD/KOC (pH 7.4): 112994.10
Polar Surface Area: 89 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

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