ChemSpider 2D Image | Methyl 1-Boc-5-oxo-piperidine-3-carboxylate | C12H19NO5

Methyl 1-Boc-5-oxo-piperidine-3-carboxylate

  • Molecular FormulaC12H19NO5
  • Average mass257.283 Da
  • Monoisotopic mass257.126312 Da
  • ChemSpider ID29784359

More details:

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

1,3-Piperidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 3-methyl ester [ACD/Index Name]
1303974-96-0 [RN]
1-tert-Butyl 3-methyl 5-oxopiperidine-1,3-dicarboxylate
3-Methyl 1-(2-methyl-2-propanyl) 5-oxo-1,3-piperidinedicarboxylate [ACD/IUPAC Name]
3-Methyl-1-(2-methyl-2-propanyl)-5-oxo-1,3-piperidindicarboxylat [German] [ACD/IUPAC Name]
5-Oxo-1,3-pipéridinedicarboxylate de 3-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Methyl 1-Boc-5-oxo-piperidine-3-carboxylate
MFCD18909956 [MDL number]
1-O-tert-butyl 3-O-methyl 5-oxopiperidine-1,3-dicarboxylate
5-Oxo-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 350.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 165.5±27.9 °C
    Index of Refraction: 1.483
    Molar Refractivity: 62.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.38
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 2.50
    ACD/KOC (pH 5.5): 67.10
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 2.50
    ACD/KOC (pH 7.4): 67.10
    Polar Surface Area: 73 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 218.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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