ChemSpider 2D Image | 6,7-Dimethoxy-1-methylisoquinoline 2-oxide | C12H13NO3

6,7-Dimethoxy-1-methylisoquinoline 2-oxide

  • Molecular FormulaC12H13NO3
  • Average mass219.236 Da
  • Monoisotopic mass219.089539 Da
  • ChemSpider ID28713621

More details:

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

2-Oxyde de 6,7-diméthoxy-1-méthylisoquinoléine [French] [ACD/IUPAC Name]
6,7-Dimethoxy-1-methylisochinolin-2-oxid [German] [ACD/IUPAC Name]
6,7-Dimethoxy-1-methylisoquinoline 2-oxide [ACD/IUPAC Name]
96562-85-5 [RN]
Isoquinoline, 6,7-dimethoxy-1-methyl-, 2-oxide [ACD/Index Name]
6,7-dimethoxy-1-methyl-2??-isoquinolin-2-one
6,7-Dimethoxy-1-methyl-2-oxo-2λ5-isoquinoline
6,7-dimethoxy-1-methyl-2λ⁵-isoquinolin-2-one
Nigellimine N-oxide

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 439.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 219.8±27.3 °C
Index of Refraction: 1.552
Molar Refractivity: 59.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.59
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 89.60
Polar Surface Area: 44 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 37.6±7.0 dyne/cm
Molar Volume: 187.2±7.0 cm3

Click to predict properties on the Chemicalize site


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