ChemSpider 2D Image | TERT-BUTYL 4-(PYRIDIN-3-YLSULFANYL)PIPERIDINE-1-CARBOXYLATE | C15H22N2O2S

TERT-BUTYL 4-(PYRIDIN-3-YLSULFANYL)PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC15H22N2O2S
  • Average mass294.412 Da
  • Monoisotopic mass294.140198 Da
  • ChemSpider ID24765310

More details:

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

1-Piperidinecarboxylic acid, 4-(3-pyridinylthio)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-pyridinylsulfanyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-pyridinylsulfanyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(3-Pyridinylsulfanyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
883555-05-3 [RN]
TERT-BUTYL 4-(PYRIDIN-3-YLSULFANYL)PIPERIDINE-1-CARBOXYLATE
[883555-05-3] [RN]
4-(Pyridin-3-ylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
4-(PYRIDIN-3-YLSULFANYL)PIPERIDINE-1-CARBOXYLIC ACID-TERT-BUTYL ESTER
MFCD07779472 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 418.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.2±3.0 kJ/mol
    Flash Point: 206.9±25.9 °C
    Index of Refraction: 1.566
    Molar Refractivity: 82.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 134.22
    ACD/KOC (pH 5.5): 1152.73
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 137.45
    ACD/KOC (pH 7.4): 1180.46
    Polar Surface Area: 68 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 252.9±5.0 cm3

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