ChemSpider 2D Image | tert-butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate | C17H22N2O2S

tert-butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate

  • Molecular FormulaC17H22N2O2S
  • Average mass318.434 Da
  • Monoisotopic mass318.140198 Da
  • ChemSpider ID30913492

More details:

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

1191901-07-1 [RN]
1-Piperazinecarboxylic acid, 4-benzo[b]thien-4-yl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(1-benzothiophen-4-yl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(1-benzothiophen-4-yl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(1-Benzothiophén-4-yl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate
1-piperazinecarboxylic acid,4-benzo[b]thien-4-yl-,1,1-dimethylethyl ester
4-Benzo[b]thien-4-yl-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
MFCD27918709
TERT-BUTYL 4-(1-BENZOTHIOPHEN-4-YL)PIPERAZINE-1-CARBOXYLATE

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 458.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.8±3.0 kJ/mol
    Flash Point: 230.8±25.9 °C
    Index of Refraction: 1.607
    Molar Refractivity: 91.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 61 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 263.5±3.0 cm3

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