ChemSpider 2D Image | 3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile | C12H14N2O2

3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile

  • Molecular FormulaC12H14N2O2
  • Average mass218.252 Da
  • Monoisotopic mass218.105530 Da
  • ChemSpider ID57479806

More details:

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

3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydro-4-isochinolincarbonitril [German] [ACD/IUPAC Name]
3-Éthoxy-1-oxo-1,2,5,6,7,8-hexahydro-4-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile [ACD/IUPAC Name]
3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
4-Isoquinolinecarbonitrile, 3-ethoxy-1,2,5,6,7,8-hexahydro-1-oxo- [ACD/Index Name]
56154-47-3 [RN]
CTK1E2106

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.7±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 57.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 106.97
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.75
ACD/KOC (pH 7.4): 105.93
Polar Surface Area: 62 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 180.2±5.0 cm3

Click to predict properties on the Chemicalize site


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