ChemSpider 2D Image | tert-butyl 3-hydroxy-3-(mercaptomethyl)piperidine-1-carboxylate | C11H21NO3S

tert-butyl 3-hydroxy-3-(mercaptomethyl)piperidine-1-carboxylate

  • Molecular FormulaC11H21NO3S
  • Average mass247.354 Da
  • Monoisotopic mass247.124207 Da
  • ChemSpider ID27666281

More details:

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

1-Piperidinecarboxylic acid, 3-hydroxy-3-(mercaptomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-hydroxy-3-(sulfanylmethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-hydroxy-3-(sulfanylmethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-Hydroxy-3-(sulfanylméthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
959701-68-9 [RN]
tert-butyl 3-hydroxy-3-(mercaptomethyl)piperidine-1-carboxylate
1-Boc-3-hydroxy-3-(mercaptomethyl)piperidine
MFCD20528299
TERT-BUTYL 3-HYDROXY-3-(SULFANYLMETHYL)PIPERIDINE-1-CARBOXYLATE

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 358.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 69.9±6.0 kJ/mol
    Flash Point: 170.4±23.7 °C
    Index of Refraction: 1.521
    Molar Refractivity: 65.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 1.95
    ACD/BCF (pH 5.5): 17.74
    ACD/KOC (pH 5.5): 272.61
    ACD/LogD (pH 7.4): 1.95
    ACD/BCF (pH 7.4): 17.70
    ACD/KOC (pH 7.4): 272.01
    Polar Surface Area: 89 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 215.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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