ChemSpider 2D Image | tert-Butyl 4-(benzo[d]isothiazol-3-yl)piperazine-1-carboxylate | C16H21N3O2S

tert-Butyl 4-(benzo[d]isothiazol-3-yl)piperazine-1-carboxylate

  • Molecular FormulaC16H21N3O2S
  • Average mass319.422 Da
  • Monoisotopic mass319.135437 Da
  • ChemSpider ID14597820

More details:

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

131779-46-9 [RN]
1-Piperazinecarboxylic acid, 4-(1,2-benzisothiazol-3-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(1,2-benzothiazol-3-yl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(1,2-benzothiazol-3-yl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(1,2-Benzothiazol-3-yl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(benzo[d]isothiazol-3-yl)piperazine-1-carboxylate
1,1-DIMETHYLETHYL 4-(1,2-BENZISOTHIAZOLE-3-YL)-1-PIPERAZINECARBOXYLATE
1,1-DIMETHYLETHYL-4-(1,2-BENZISOTHIAZOLE-3-YL)-1-PIPERAZINECARBOXYLATE
1-Piperazinecarboxylicacid, 4-(1,2-benzisothiazol-3-yl)-, 1,1-dimethylethyl ester
1-Piperazinecarboxylicacid,4-(1,2-benzisothiazol-3-yl)-,1,1-dimethylethyl ester
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 402.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 196.9±28.7 °C
    Index of Refraction: 1.611
    Molar Refractivity: 89.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): 0.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.84
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 22.01
    ACD/KOC (pH 7.4): 178.04
    Polar Surface Area: 74 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 256.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement