ChemSpider 2D Image | 2-(6,7-Dimethoxy-1,3-benzodioxol-4-yl)-N-methylethanamine | C12H17NO4

2-(6,7-Dimethoxy-1,3-benzodioxol-4-yl)-N-methylethanamine

  • Molecular FormulaC12H17NO4
  • Average mass239.268 Da
  • Monoisotopic mass239.115753 Da
  • ChemSpider ID62914191

More details:






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

1,3-Benzodioxole-4-ethanamine, 6,7-dimethoxy-N-methyl- [ACD/Index Name]
2-(6,7-Dimethoxy-1,3-benzodioxol-4-yl)-N-methylethanamin [German] [ACD/IUPAC Name]
2-(6,7-Dimethoxy-1,3-benzodioxol-4-yl)-N-methylethanamine [ACD/IUPAC Name]
2-(6,7-Diméthoxy-1,3-benzodioxol-4-yl)-N-méthyléthanamine [French] [ACD/IUPAC Name]
33543-10-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 333.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 136.5±17.3 °C
Index of Refraction: 1.527
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 206.8±3.0 cm3

Click to predict properties on the Chemicalize site






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