ChemSpider 2D Image | 1-(6-Bromo-1,3-benzodioxol-5-yl)-2-propanamine | C10H12BrNO2

1-(6-Bromo-1,3-benzodioxol-5-yl)-2-propanamine

  • Molecular FormulaC10H12BrNO2
  • Average mass258.112 Da
  • Monoisotopic mass257.005127 Da
  • ChemSpider ID23552998

More details:






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

1-(6-Brom-1,3-benzodioxol-5-yl)-2-propanamin [German] [ACD/IUPAC Name]
1-(6-Bromo-1,3-benzodioxol-5-yl)-2-propanamine [ACD/IUPAC Name]
1-(6-Bromo-1,3-benzodioxol-5-yl)-2-propanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, 6-bromo-α-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 331.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 154.4±27.9 °C
Index of Refraction: 1.594
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.51
Polar Surface Area: 44 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 170.2±3.0 cm3

Click to predict properties on the Chemicalize site





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