ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yl)-2-methoxyethanamine | C10H13NO3

2-(1,3-Benzodioxol-5-yl)-2-methoxyethanamine

  • Molecular FormulaC10H13NO3
  • Average mass195.215 Da
  • Monoisotopic mass195.089539 Da
  • ChemSpider ID21106264

More details:






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

1,3-Benzodioxole-5-ethanamine, β-methoxy- [ACD/Index Name]
2-(1,3-Benzodioxol-5-yl)-2-methoxyethanamin [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-2-methoxyethanamine [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-2-méthoxyéthanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 301.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 147.0±21.6 °C
Index of Refraction: 1.559
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 21.59
Polar Surface Area: 54 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 160.7±3.0 cm3

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