ChemSpider 2D Image | tert-butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate | C14H20N2O3S

tert-butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate

  • Molecular FormulaC14H20N2O3S
  • Average mass296.385 Da
  • Monoisotopic mass296.119476 Da
  • ChemSpider ID21636800

More details:

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

1-Piperazinecarboxylic acid, 4-(5-formyl-2-thienyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(5-formyl-2-thienyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(5-formyl-2-thienyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(5-Formyl-2-thiényl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
623588-30-7 [RN]
MFCD09055398 [MDL number]
tert-butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate
tert-butyl 4-(5-formylthiophen-2-yl)piperazine-1-carboxylate
tert-Butyl 4-(5-formyl-2-thienyl)-1-piperazinecarboxylate
TERT-BUTYL-4-(5-FORMYL-2-THIENYL)PIPERAZINE-1-CARBOXYLATE

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 449.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 225.9±28.7 °C
    Index of Refraction: 1.578
    Molar Refractivity: 80.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 24.47
    ACD/KOC (pH 5.5): 343.13
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.51
    ACD/KOC (pH 7.4): 343.61
    Polar Surface Area: 78 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 241.1±3.0 cm3

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