ChemSpider 2D Image | 3-[4-(Tetrahydro-2H-thiopyran-4-yl)-1-piperazinyl]propanoic acid | C12H22N2O2S

3-[4-(Tetrahydro-2H-thiopyran-4-yl)-1-piperazinyl]propanoic acid

  • Molecular FormulaC12H22N2O2S
  • Average mass258.380 Da
  • Monoisotopic mass258.140198 Da
  • ChemSpider ID48364449

More details:

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

1-Piperazinepropanoic acid, 4-(tetrahydro-2H-thiopyran-4-yl)- [ACD/Index Name]
3-[4-(Tetrahydro-2H-thiopyran-4-yl)-1-piperazinyl]propanoic acid [ACD/IUPAC Name]
3-[4-(Tetrahydro-2H-thiopyran-4-yl)-1-piperazinyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[4-(tétrahydro-2H-thiopyrane-4-yl)-1-pipérazinyl]propanoïque [French] [ACD/IUPAC Name]
1498868-75-9 [RN]
3-(4-(tetrahydro-2H-thiopyran-4-yl)piperazin-1-yl)propanoic acid
MFCD20952479

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 436.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.9±6.0 kJ/mol
    Flash Point: 217.5±28.7 °C
    Index of Refraction: 1.562
    Molar Refractivity: 70.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.29
    ACD/LogD (pH 5.5): -1.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 69 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 216.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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