ChemSpider 2D Image | (1S)-1-(1,3-Benzodioxol-5-yl)ethanamine | C9H11NO2

(1S)-1-(1,3-Benzodioxol-5-yl)ethanamine

  • Molecular FormulaC9H11NO2
  • Average mass165.189 Da
  • Monoisotopic mass165.078979 Da
  • ChemSpider ID22837022

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(1,3-Benzodioxol-5-yl)ethanamin [German] [ACD/IUPAC Name]
(1S)-1-(1,3-Benzodioxol-5-yl)ethanamine [ACD/IUPAC Name]
(1S)-1-(1,3-Benzodioxol-5-yl)éthanamine [French] [ACD/IUPAC Name]
(S)-1-(benzo[d][1,3]dioxol-5-yl)ethanamine
1,3-Benzodioxole-5-methanamine, α-methyl-, (αS)- [ACD/Index Name]
210488-52-1 [RN]
(1S)-1-(1,3-dioxaindan-5-yl)ethan-1-amine
(1s)-1-(2h-1,3-benzodioxol-5-yl)ethan-1-amine
(1S)-1-(2H-1,3-benzodioxol-5-yl)ethanamine
[210488-52-1] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 260.9±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.9±3.0 kJ/mol
    Flash Point: 120.6±31.5 °C
    Index of Refraction: 1.574
    Molar Refractivity: 45.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): -1.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.44
    Polar Surface Area: 44 Å2
    Polarizability: 18.0±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 137.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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