ChemSpider 2D Image | tert-Butyl 4-(((6-chloropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate | C15H23ClN4O2

tert-Butyl 4-(((6-chloropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate

  • Molecular FormulaC15H23ClN4O2
  • Average mass326.822 Da
  • Monoisotopic mass326.150940 Da
  • ChemSpider ID27457234

More details:

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

1-Piperidinecarboxylic acid, 4-[[(6-chloro-4-pyrimidinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(6-chloro-4-pyrimidinyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(6-chlor-4-pyrimidinyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(6-Chloro-4-pyrimidinyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
939986-79-5 [RN]
tert-Butyl 4-(((6-chloropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate
4-[(6-Chloro-pyrimidin-4-ylamino)-m; ethyl]-piperidine-1-carboxylic acid tert-butyl ester
4-[(6-Chloro-pyrimidin-4-ylamino)-methyl ]-piperidine-1-carboxylic acid tert-butyl ester
4-[(6-chloro-pyrimidin-4-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl est
4-[(6-Chloropyrimidin-4-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: 470.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 238.3±23.2 °C
    Index of Refraction: 1.558
    Molar Refractivity: 86.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.36
    ACD/LogD (pH 5.5): 3.51
    ACD/BCF (pH 5.5): 273.41
    ACD/KOC (pH 5.5): 1930.67
    ACD/LogD (pH 7.4): 3.51
    ACD/BCF (pH 7.4): 273.78
    ACD/KOC (pH 7.4): 1933.26
    Polar Surface Area: 67 Å2
    Polarizability: 34.2±0.5 10-24cm3
    Surface Tension: 51.4±3.0 dyne/cm
    Molar Volume: 268.0±3.0 cm3

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