ChemSpider 2D Image | 2-Amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C27H27Cl2N3O4

2-Amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC27H27Cl2N3O4
  • Average mass528.427 Da
  • Monoisotopic mass527.137878 Da
  • ChemSpider ID3606906

More details:

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

2-Amino-1-(3,4-dichlorophényl)-7,7-diméthyl-5-oxo-4-(3,4,5-triméthoxyphényl)-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
2-Amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
2-Amino-1-(3,4-dichlorphenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-1-(3,4-dichlorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-Amino-1-(3,4-dichloro-phenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxy-phenyl)-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile
2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,7,8-pentahydroquinoline-3-carbonitrile

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

A2831/0119591 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.9±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2327.29
ACD/KOC (pH 5.5): 8928.57
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2342.33
ACD/KOC (pH 7.4): 8986.28
Polar Surface Area: 98 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 382.5±5.0 cm3

Click to predict properties on the Chemicalize site


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