ChemSpider 2D Image | (+)-mde | C12H17NO2

(+)-mde

  • Molecular FormulaC12H17NO2
  • Average mass207.269 Da
  • Monoisotopic mass207.125931 Da
  • ChemSpider ID32701572

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-mde
(2S)-1-(1,3-Benzodioxol-5-yl)-N-ethyl-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(1,3-Benzodioxol-5-yl)-N-ethyl-2-propanamine [ACD/IUPAC Name]
(2S)-1-(1,3-Benzodioxol-5-yl)-N-éthyl-2-propanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, N-ethyl-α-methyl-, (αS)- [ACD/Index Name]
114612-26-9 [RN]
23Y2GY4AJG
(S)-Methylenedioxyethylamphetamine
82801-81-8 [RN]
MDE, (+)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 299.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 122.1±8.2 °C
Index of Refraction: 1.531
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 30 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 192.1±3.0 cm3

Click to predict properties on the Chemicalize site


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