ChemSpider 2D Image | tert-Butyl 4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazine-1-carboxylate | C18H24N2O5

tert-Butyl 4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazine-1-carboxylate

  • Molecular FormulaC18H24N2O5
  • Average mass348.394 Da
  • Monoisotopic mass348.168518 Da
  • ChemSpider ID21896576

More details:

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

1076199-22-8 [RN]
1-Piperazinecarboxylic acid, 4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazine-1-carboxylate
1189968-99-7 [RN]
4-(2,3,4a,8a-tetrahydro-benzo[1,4]dioxine-2-carbonyl)-piperazine-1-carboxylic acid tert-bu
4-(2,3,4a,8a-Tetrahydro-benzo[1,4]dioxine-2-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
4-(2,3-Dihydrobenzo[1,4]dioxine-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 501.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.0±3.0 kJ/mol
    Flash Point: 257.1±30.1 °C
    Index of Refraction: 1.553
    Molar Refractivity: 90.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.85
    ACD/KOC (pH 5.5): 579.40
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 50.85
    ACD/KOC (pH 7.4): 579.40
    Polar Surface Area: 68 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 281.4±3.0 cm3

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