ChemSpider 2D Image | 1-{4-[(Dimethylamino)methyl]-2-thienyl}ethanone | C9H13NOS

1-{4-[(Dimethylamino)methyl]-2-thienyl}ethanone

  • Molecular FormulaC9H13NOS
  • Average mass183.271 Da
  • Monoisotopic mass183.071777 Da
  • ChemSpider ID21927719

More details:

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

1-{4-[(Dimethylamino)methyl]-2-thienyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[(Dimethylamino)methyl]-2-thienyl}ethanone [ACD/IUPAC Name]
1-{4-[(Diméthylamino)méthyl]-2-thiényl}éthanone [French] [ACD/IUPAC Name]
1-{4-[(Dimethylamino)methyl]thiophen-2-yl}ethan-1-one
1-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}ETHANONE
959237-37-7 [RN]
Ethanone, 1-[4-[(dimethylamino)methyl]-2-thienyl]- [ACD/Index Name]
MFCD09864263 [MDL number]
1-(4-((DIMETHYLAMINO)METHYL)-2-THIENYL)ETHANONE
1-(4-((Dimethylamino)methyl)thiophen-2-yl)ethanone
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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: 276.4±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 121.0±24.6 °C
    Index of Refraction: 1.542
    Molar Refractivity: 52.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): -1.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.27
    Polar Surface Area: 49 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 39.1±3.0 dyne/cm
    Molar Volume: 167.0±3.0 cm3

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