ChemSpider 2D Image | tert-butyl 4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine-1-carboxylate | C24H35ClN2O2

tert-butyl 4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine-1-carboxylate

  • Molecular FormulaC24H35ClN2O2
  • Average mass419.000 Da
  • Monoisotopic mass418.238708 Da
  • ChemSpider ID37997962

More details:

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

1,1-Dimethylethyl 4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinecarboxylate
1228780-71-9 [RN]
1-Piperazinecarboxylic acid, 4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[2-(4-chlorphenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[2-(4-Chlorophényl)-4,4-diméthyl-1-cyclohexén-1-yl]méthyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine-1-carboxylate
tert-butyl 4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine-1-carboxylate
CS-13342
MFCD28129721
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 493.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±3.0 kJ/mol
    Flash Point: 252.2±28.7 °C
    Index of Refraction: 1.539
    Molar Refractivity: 119.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.79
    ACD/LogD (pH 5.5): 5.05
    ACD/BCF (pH 5.5): 2085.38
    ACD/KOC (pH 5.5): 3732.53
    ACD/LogD (pH 7.4): 6.19
    ACD/BCF (pH 7.4): 28626.49
    ACD/KOC (pH 7.4): 51237.46
    Polar Surface Area: 33 Å2
    Polarizability: 47.2±0.5 10-24cm3
    Surface Tension: 39.9±3.0 dyne/cm
    Molar Volume: 379.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement