ChemSpider 2D Image | tert-Butyl 4-(((3-chloroquinoxalin-2-yl)amino)methyl)piperidine-1-carboxylate | C19H25ClN4O2

tert-Butyl 4-(((3-chloroquinoxalin-2-yl)amino)methyl)piperidine-1-carboxylate

  • Molecular FormulaC19H25ClN4O2
  • Average mass376.880 Da
  • Monoisotopic mass376.166595 Da
  • ChemSpider ID27457276

More details:

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

1-Piperidinecarboxylic acid, 4-[[(3-chloro-2-quinoxalinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(3-chloro-2-quinoxalinyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(3-chlor-2-chinoxalinyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(3-Chloro-2-quinoxalinyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
939986-05-7 [RN]
tert-Butyl 4-(((3-chloroquinoxalin-2-yl)amino)methyl)piperidine-1-carboxylate
4-[(3-Chloro-quinoxalin-2-ylamino)-
4-[(3-Chloro-quinoxalin-2-ylamino)- methyl]-piperidine-1-carboxylic acid tert-butyl ester
4-[(3-Chloro-quinoxalin-2-ylamino)-; methyl]-piperidine-1-carboxylic acid tert-butyl ester
4-[(3-Chloro-quinoxalin-2-ylamino)-methyl ]-piperidine-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: 502.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 257.6±28.7 °C
    Index of Refraction: 1.606
    Molar Refractivity: 104.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.67
    ACD/LogD (pH 5.5): 4.10
    ACD/BCF (pH 5.5): 775.12
    ACD/KOC (pH 5.5): 4071.91
    ACD/LogD (pH 7.4): 4.10
    ACD/BCF (pH 7.4): 775.20
    ACD/KOC (pH 7.4): 4072.31
    Polar Surface Area: 67 Å2
    Polarizability: 41.3±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 302.1±3.0 cm3

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