ChemSpider 2D Image | tert-Butyl 3-(2-mercaptoethyl)piperidine-1-carboxylate | C12H23NO2S

tert-Butyl 3-(2-mercaptoethyl)piperidine-1-carboxylate

  • Molecular FormulaC12H23NO2S
  • Average mass245.382 Da
  • Monoisotopic mass245.144943 Da
  • ChemSpider ID29287493

More details:

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

1420866-00-7 [RN]
1-Piperidinecarboxylic acid, 3-(2-mercaptoethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(2-sulfanylethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2-sulfanylethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-(2-Sulfanyléthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(2-mercaptoethyl)piperidine-1-carboxylate
MFCD24381613
tert-butyl 3-(2-sulfanylethyl)piperidine-1-carboxylate
tert-butyl-3-(2-mercaptoethyl)piperidine-1-carboxylate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 332.8±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 155.1±20.4 °C
    Index of Refraction: 1.493
    Molar Refractivity: 68.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 3.13
    ACD/BCF (pH 5.5): 140.70
    ACD/KOC (pH 5.5): 1200.45
    ACD/LogD (pH 7.4): 3.13
    ACD/BCF (pH 7.4): 140.55
    ACD/KOC (pH 7.4): 1199.26
    Polar Surface Area: 68 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 36.3±3.0 dyne/cm
    Molar Volume: 236.3±3.0 cm3

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