ChemSpider 2D Image | 2-Amino-4-{5-[(4-methoxyphenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C34H34N4O5

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

  • Molecular FormulaC34H34N4O5
  • Average mass578.658 Da
  • Monoisotopic mass578.252930 Da
  • ChemSpider ID3590418

More details:

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

2-Amino-4-{5-[(4-methoxyphenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
2-Amino-4-{5-[(4-méthoxyphénoxy)méthyl]-2,4-diméthylphényl}-7,7-diméthyl-1-(2-nitrophényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
2-Amino-4-{5-[(4-methoxyphenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-1,4,5,6,7,8-hexahydro-4-[5-[(4-methoxyphenoxy)methyl]-2,4-dimethylphenyl]-7,7-dimethyl-1-(2-nitrophenyl)-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: 783.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 427.7±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 16973.15
ACD/KOC (pH 5.5): 36984.63
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17140.90
ACD/KOC (pH 7.4): 37350.15
Polar Surface Area: 134 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement