ChemSpider 2D Image | (1R)-1-(1,3-Benzodioxol-5-yl)-N-methylethanamine | C10H13NO2

(1R)-1-(1,3-Benzodioxol-5-yl)-N-methylethanamine

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID32937215

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-(1,3-Benzodioxol-5-yl)-N-methylethanamin [German] [ACD/IUPAC Name]
(1R)-1-(1,3-Benzodioxol-5-yl)-N-methylethanamine [ACD/IUPAC Name]
(1R)-1-(1,3-Benzodioxol-5-yl)-N-méthyléthanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-methanamine, N,α-dimethyl-, (αR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 250.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 97.9±13.7 °C
Index of Refraction: 1.542
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 30 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 159.5±3.0 cm3

Click to predict properties on the Chemicalize site


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