ChemSpider 2D Image | 1,5-Bis(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-pentanone | C27H36N2O5

1,5-Bis(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-pentanone

  • Molecular FormulaC27H36N2O5
  • Average mass468.585 Da
  • Monoisotopic mass468.262421 Da
  • ChemSpider ID22494045

More details:

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

1,5-Bis(6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)-2-pentanon [German] [ACD/IUPAC Name]
1,5-Bis(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)-2-pentanone [French] [ACD/IUPAC Name]
1,5-Bis(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-pentanone [ACD/IUPAC Name]
2-Pentanone, 1,5-bis(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)- [ACD/Index Name]
1,5-BIS(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)PENTAN-2-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.41
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 56.86
ACD/KOC (pH 7.4): 448.68
Polar Surface Area: 60 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 410.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement