ChemSpider 2D Image | 2-(2-Azepanyl)-1-(2-thienyl)ethanol | C12H19NOS

2-(2-Azepanyl)-1-(2-thienyl)ethanol

  • Molecular FormulaC12H19NOS
  • Average mass225.350 Da
  • Monoisotopic mass225.118729 Da
  • ChemSpider ID28547532

More details:

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

1H-Azepine-2-ethanol, hexahydro-α-2-thienyl- [ACD/Index Name]
2-(2-Azepanyl)-1-(2-thienyl)ethanol [German] [ACD/IUPAC Name]
2-(2-Azepanyl)-1-(2-thienyl)ethanol [ACD/IUPAC Name]
2-(2-Azépanyl)-1-(2-thiényl)éthanol [French] [ACD/IUPAC Name]
1375951-60-2 [RN]
2-(azepan-2-yl)-1-(thiophen-2-yl)ethan-1-ol
2-(AZEPAN-2-YL)-1-(THIOPHEN-2-YL)ETHANOL
2-(azepan-2-yl)-1-thiophen-2-ylethanol
2-Azepan-2-yl-1-thiophen-2-yl-ethanol
MFCD22196433
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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: 378.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 182.8±22.3 °C
    Index of Refraction: 1.540
    Molar Refractivity: 64.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): -0.71
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 61 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 42.9±3.0 dyne/cm
    Molar Volume: 206.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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