ChemSpider 2D Image | MFCD12974686 | C22H36N2O2

MFCD12974686

  • Molecular FormulaC22H36N2O2
  • Average mass360.533 Da
  • Monoisotopic mass360.277679 Da
  • ChemSpider ID59759453

More details:

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

1,1-Dimethylethyl 4-[[4-(3,3-dimethylbutyl)phenyl]amino]-1-piperidinecarboxylate
1-Piperidinecarboxylic acid, 4-[[4-(3,3-dimethylbutyl)phenyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
241499-53-6 [RN]
2-Methyl-2-propanyl 4-{[4-(3,3-dimethylbutyl)phenyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[4-(3,3-dimethylbutyl)phenyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[4-(3,3-Diméthylbutyl)phényl]amino}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD12974686
Tert-Butyl 4-[4-(3,3-Dimethylbutyl)Anilino]-1-Piperidinecarboxylate
22421-88-1 [RN]
t-Butyl 4-[4-(3,3-dimethylbutyl)anilino]-1-piperidinecarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 469.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 237.8±28.7 °C
    Index of Refraction: 1.536
    Molar Refractivity: 108.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.46
    ACD/LogD (pH 5.5): 5.25
    ACD/BCF (pH 5.5): 5379.00
    ACD/KOC (pH 5.5): 15016.20
    ACD/LogD (pH 7.4): 5.37
    ACD/BCF (pH 7.4): 7139.72
    ACD/KOC (pH 7.4): 19931.46
    Polar Surface Area: 42 Å2
    Polarizability: 43.1±0.5 10-24cm3
    Surface Tension: 41.4±3.0 dyne/cm
    Molar Volume: 348.5±3.0 cm3

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