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

2-Amino-1-(4-chlorophenyl)-4-{3-[(4-methoxyphenoxy)methyl]-2,5-dimethylphenyl}-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 ID3295040

More details:

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

2-Amino-1-(4-chlorophényl)-4-{3-[(4-méthoxyphénoxy)méthyl]-2,5-diméthylphényl}-7,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
2-Amino-1-(4-chlorophenyl)-4-{3-[(4-methoxyphenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
2-Amino-1-(4-chlorphenyl)-4-{3-[(4-methoxyphenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-1-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-4-[3-[(4-methoxyphenoxy)methyl]-2,5-dimethylphenyl]-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: 761.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.3±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: 6.61
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66588.33
ACD/KOC (pH 5.5): 98177.73
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67746.80
ACD/KOC (pH 7.4): 99885.77
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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