ChemSpider 2D Image | (4R)-2-Amino-4-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C27H30N4O2

(4R)-2-Amino-4-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC27H30N4O2
  • Average mass442.553 Da
  • Monoisotopic mass442.236877 Da
  • ChemSpider ID62529399

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-Amino-4-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
(4R)-2-Amino-4-[4-(diméthylamino)phényl]-1-(4-méthoxyphényl)-7,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
(4R)-2-Amino-4-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-4-[4-(dimethylamino)phenyl]-1,4,5,6,7,8-hexahydro-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-, (4R)- [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: 670.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.4±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 766.81
ACD/KOC (pH 5.5): 3722.21
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1019.53
ACD/KOC (pH 7.4): 4948.94
Polar Surface Area: 83 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 355.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement