ChemSpider 2D Image | 2-(1,3-Benzodioxol-4-yl)-N-methylethanamine | C10H13NO2

2-(1,3-Benzodioxol-4-yl)-N-methylethanamine

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID37499113

More details:






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

1,3-Benzodioxole-4-ethanamine, N-methyl- [ACD/Index Name]
2-(1,3-Benzodioxol-4-yl)-N-methylethanamin [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-4-yl)-N-methylethanamine [ACD/IUPAC Name]
2-(1,3-Benzodioxol-4-yl)-N-méthyléthanamine [French] [ACD/IUPAC Name]
33543-05-4 [RN]
MFCD20673442

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

Density: 1.1±0.1 g/cm3
Boiling Point: 278.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.7±3.0 kJ/mol
Flash Point: 108.4±11.0 °C
Index of Refraction: 1.545
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 30 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 158.8±3.0 cm3

Click to predict properties on the Chemicalize site






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