ChemSpider 2D Image | 2-(7-Methyl-1,3-benzodioxol-5-yl)ethanamine | C10H13NO2

2-(7-Methyl-1,3-benzodioxol-5-yl)ethanamine

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID44802795

More details:






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

1,3-Benzodioxole-5-ethanamine, 7-methyl- [ACD/Index Name]
2-(7-Methyl-1,3-benzodioxol-5-yl)ethanamin [German] [ACD/IUPAC Name]
2-(7-Methyl-1,3-benzodioxol-5-yl)ethanamine [ACD/IUPAC Name]
2-(7-Méthyl-1,3-benzodioxol-5-yl)éthanamine [French] [ACD/IUPAC Name]
1548058-64-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 287.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 138.6±28.8 °C
Index of Refraction: 1.570
Molar Refractivity: 50.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 44 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 153.4±3.0 cm3

Click to predict properties on the Chemicalize site






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