ChemSpider 2D Image | benzyl 4-mercaptopiperidine-1-carboxylate | C13H17NO2S

benzyl 4-mercaptopiperidine-1-carboxylate

  • Molecular FormulaC13H17NO2S
  • Average mass251.345 Da
  • Monoisotopic mass251.097992 Da
  • ChemSpider ID28302850

More details:

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

1-Piperidinecarboxylic acid, 4-mercapto-, phenylmethyl ester [ACD/Index Name]
4-Sulfanyl-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
833491-24-0 [RN]
benzyl 4-mercaptopiperidine-1-carboxylate
Benzyl 4-sulfanyl-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-4-sulfanyl-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Mercapto-piperidine-1-carboxylic acid benzyl ester
Benzyl 4-sulfanylpiperidine-1-carboxylate
Ethyl 4-(2,4-dimethoxyphenyl)-2-oxo-2,3-dihydrothiazole-5-carboxylate
MFCD12911711

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 383.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.4±27.9 °C
    Index of Refraction: 1.585
    Molar Refractivity: 70.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 80.60
    ACD/KOC (pH 5.5): 805.65
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 80.53
    ACD/KOC (pH 7.4): 805.03
    Polar Surface Area: 68 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 48.6±5.0 dyne/cm
    Molar Volume: 211.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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