ChemSpider 2D Image | 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-3-isoquinolinecarboxylate | C21H20NO6

1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-3-isoquinolinecarboxylate

  • Molecular FormulaC21H20NO6
  • Average mass382.387 Da
  • Monoisotopic mass382.129608 Da
  • ChemSpider ID95575767

  • Charge - Charge

More details:

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

1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
1-(3,4-Diméthoxybenzyl)-6,7-diméthoxy-3-isoquinoléinecarboxylate [French] [ACD/IUPAC Name]
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-3-isoquinolinecarboxylate [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.67
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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