ChemSpider 2D Image | 1-(3,4-Dimethoxybenzyl)-7-methoxy-6-[(~2~H_3_)methyloxy]isoquinoline | C20H18D3NO4

1-(3,4-Dimethoxybenzyl)-7-methoxy-6-[(2H3)methyloxy]isoquinoline

  • Molecular FormulaC20H18D3NO4
  • Average mass342.404 Da
  • Monoisotopic mass342.165894 Da
  • ChemSpider ID78333966

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3,4-Dimethoxybenzyl)-7-methoxy-6-[(2H3)methyloxy]isochinolin [German] [ACD/IUPAC Name]
1-(3,4-Diméthoxybenzyl)-7-méthoxy-6-[(2H3)méthyloxy]isoquinoléine [French] [ACD/IUPAC Name]
1-(3,4-Dimethoxybenzyl)-7-methoxy-6-[(2H3)methyloxy]isoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-6-(methyl-d3-oxy)- [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: 483.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 172.2±17.6 °C
Index of Refraction: 1.587
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 21.48
ACD/KOC (pH 5.5): 177.05
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 146.79
ACD/KOC (pH 7.4): 1209.98
Polar Surface Area: 50 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 292.2±3.0 cm3

Click to predict properties on the Chemicalize site


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