ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-1-methoxy-2-propanamine | C11H15NO3

1-(1,3-Benzodioxol-5-yl)-1-methoxy-2-propanamine

  • Molecular FormulaC11H15NO3
  • Average mass209.242 Da
  • Monoisotopic mass209.105194 Da
  • ChemSpider ID62956603

More details:






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

1-(1,3-Benzodioxol-5-yl)-1-methoxy-2-propanamin [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-1-methoxy-2-propanamine [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-1-méthoxy-2-propanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, β-methoxy-α-methyl- [ACD/Index Name]
117986-47-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 309.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 147.9±21.6 °C
Index of Refraction: 1.549
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 24.21
Polar Surface Area: 54 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 177.6±3.0 cm3

Click to predict properties on the Chemicalize site






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