ChemSpider 2D Image | [(Octahydro-2H-quinolizin-1-ylmethyl)sulfanyl]acetic acid | C12H21NO2S

[(Octahydro-2H-quinolizin-1-ylmethyl)sulfanyl]acetic acid

  • Molecular FormulaC12H21NO2S
  • Average mass243.366 Da
  • Monoisotopic mass243.129303 Da
  • ChemSpider ID32822054

More details:

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

[(Octahydro-2H-chinolizin-1-ylmethyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
[(Octahydro-2H-quinolizin-1-ylmethyl)sulfanyl]acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[(octahydro-2H-quinolizin-1-yl)methyl]thio]- [ACD/Index Name]
Acide [(octahydro-2H-quinolizin-1-ylméthyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
(Octahydro-quinolizin-1-ylmethylsulfanyl)-acetic acid
[(OCTAHYDRO-1H-QUINOLIZIN-1-YLMETHYL)SULFANYL]ACETIC ACID
1383626-21-8 [RN]
2-(((octahydro-1H-quinolizin-1-yl)methyl)thio)acetic acid
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylsulfanyl)acetic acid
2-[(octahydro-1H-quinolizin-1-ylmethyl)sulfanyl]acetic acid
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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: 387.9±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 69.9±6.0 kJ/mol
    Flash Point: 188.4±20.9 °C
    Index of Refraction: 1.565
    Molar Refractivity: 67.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): 0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.81
    ACD/LogD (pH 7.4): 0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.83
    Polar Surface Area: 66 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 50.5±5.0 dyne/cm
    Molar Volume: 205.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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