ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yl)-1-cyclopropylethanamine | C12H15NO2

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

  • Molecular FormulaC12H15NO2
  • Average mass205.253 Da
  • Monoisotopic mass205.110275 Da
  • ChemSpider ID37773295

More details:






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

1,3-Benzodioxole-5-ethanamine, α-cyclopropyl- [ACD/Index Name]
2-(1,3-Benzodioxol-5-yl)-1-cyclopropylethanamin [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-1-cyclopropylethanamine [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-1-cyclopropyléthanamine [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: 327.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 166.3±26.5 °C
Index of Refraction: 1.613
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 44 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 164.4±3.0 cm3

Click to predict properties on the Chemicalize site






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