ChemSpider 2D Image | 2-Amino-4-{2,4-dimethyl-5-[(4-methylphenoxy)methyl]phenyl}-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C35H37N3O2

2-Amino-4-{2,4-dimethyl-5-[(4-methylphenoxy)methyl]phenyl}-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC35H37N3O2
  • Average mass531.687 Da
  • Monoisotopic mass531.288574 Da
  • ChemSpider ID3618101

More details:

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

2-Amino-4-{2,4-dimethyl-5-[(4-methylphenoxy)methyl]phenyl}-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
2-Amino-4-{2,4-diméthyl-5-[(4-méthylphénoxy)méthyl]phényl}-7,7-diméthyl-1-(2-méthylphényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
2-Amino-4-{2,4-dimethyl-5-[(4-methylphenoxy)methyl]phenyl}-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-4-[2,4-dimethyl-5-[(4-methylphenoxy)methyl]phenyl]-1,4,5,6,7,8-hexahydro-7,7-dimethyl-1-(2-methylphenyl)-5-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 726.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.4±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 81808.85
ACD/KOC (pH 5.5): 113193.02
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 84700.13
ACD/KOC (pH 7.4): 117193.48
Polar Surface Area: 79 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 438.5±5.0 cm3

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