ChemSpider 2D Image | 1-(4-Fluoro-1,3-benzodioxol-5-yl)-2-propanamine | C10H12FNO2

1-(4-Fluoro-1,3-benzodioxol-5-yl)-2-propanamine

  • Molecular FormulaC10H12FNO2
  • Average mass197.206 Da
  • Monoisotopic mass197.085205 Da
  • ChemSpider ID62059157

More details:






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

1-(4-Fluor-1,3-benzodioxol-5-yl)-2-propanamin [German] [ACD/IUPAC Name]
1-(4-Fluoro-1,3-benzodioxol-5-yl)-2-propanamine [ACD/IUPAC Name]
1-(4-Fluoro-1,3-benzodioxol-5-yl)-2-propanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, 4-fluoro-α-methyl- [ACD/Index Name]
1896662-64-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 276.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 121.2±27.3 °C
Index of Refraction: 1.546
Molar Refractivity: 50.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 44 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 158.2±3.0 cm3

Click to predict properties on the Chemicalize site






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