ChemSpider 2D Image | 2-(4-Bromo-1,3-benzodioxol-5-yl)-N-methylethanamine | C10H12BrNO2

2-(4-Bromo-1,3-benzodioxol-5-yl)-N-methylethanamine

  • Molecular FormulaC10H12BrNO2
  • Average mass258.112 Da
  • Monoisotopic mass257.005127 Da
  • ChemSpider ID62135178

More details:

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

1,3-Benzodioxole-5-ethanamine, 4-bromo-N-methyl- [ACD/Index Name]
2-(4-Brom-1,3-benzodioxol-5-yl)-N-methylethanamin [German] [ACD/IUPAC Name]
2-(4-Bromo-1,3-benzodioxol-5-yl)-N-methylethanamine [ACD/IUPAC Name]
2-(4-Bromo-1,3-benzodioxol-5-yl)-N-méthyléthanamine [French] [ACD/IUPAC Name]
1891798-63-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 326.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 151.1±27.9 °C
Index of Refraction: 1.576
Molar Refractivity: 57.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 30 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 174.9±3.0 cm3

Click to predict properties on the Chemicalize site


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