ChemSpider 2D Image | 1-{3,4-Bis[(~2~H_3_)methyloxy]benzyl}-6,7-dimethoxyisoquinoline | C20H15D6NO4

1-{3,4-Bis[(2H3)methyloxy]benzyl}-6,7-dimethoxyisoquinoline

  • Molecular FormulaC20H15D6NO4
  • Average mass345.422 Da
  • Monoisotopic mass345.184723 Da
  • ChemSpider ID58798718

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{3,4-Bis[(2H3)methyloxy]benzyl}-6,7-dimethoxyisochinolin [German] [ACD/IUPAC Name]
1-{3,4-Bis[(2H3)méthyloxy]benzyl}-6,7-diméthoxyisoquinoléine [French] [ACD/IUPAC Name]
1-{3,4-Bis[(2H3)methyloxy]benzyl}-6,7-dimethoxyisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-[[3,4-bis(methyl-d3-oxy)phenyl]methyl]-6,7-dimethoxy- [ACD/Index Name]
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline [ACD/IUPAC Name]
58-74-2 [RN]
MFCD00024138 [MDL number]

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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