ChemSpider 2D Image | tert-Butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate | C18H22N4O4

tert-Butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate

  • Molecular FormulaC18H22N4O4
  • Average mass358.392 Da
  • Monoisotopic mass358.164093 Da
  • ChemSpider ID25950057

More details:

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

1133115-74-8 [RN]
1-Piperazinecarboxylic acid, 4-(5-nitro-8-quinolinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(5-nitro-8-quinolinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(5-nitro-8-chinolinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(5-Nitro-8-quinoléinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate
[1133115-74-8] [RN]
1-BOC-4-(5-nitroquinolin-8-yl)piperazine
HC-2351
MFCD11855892 [MDL number]

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: 1.3±0.1 g/cm3
    Boiling Point: 539.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.6±3.0 kJ/mol
    Flash Point: 279.8±30.1 °C
    Index of Refraction: 1.614
    Molar Refractivity: 97.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 193.96
    ACD/KOC (pH 5.5): 1510.33
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 194.09
    ACD/KOC (pH 7.4): 1511.35
    Polar Surface Area: 91 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 56.9±3.0 dyne/cm
    Molar Volume: 279.1±3.0 cm3

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