ChemSpider 2D Image | TERT-BUTYL 4-{[(6-ETHOXYPYRIMIDIN-4-YL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE | C17H28N4O3

TERT-BUTYL 4-{[(6-ETHOXYPYRIMIDIN-4-YL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC17H28N4O3
  • Average mass336.429 Da
  • Monoisotopic mass336.216156 Da
  • ChemSpider ID28303441

More details:

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

1353989-73-7 [RN]
1-Piperidinecarboxylic acid, 4-[[(6-ethoxy-4-pyrimidinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(6-ethoxy-4-pyrimidinyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(6-ethoxy-4-pyrimidinyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(6-Éthoxy-4-pyrimidinyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-{[(6-ETHOXYPYRIMIDIN-4-YL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE
4-[(6-Ethoxy-pyrimidin-4-ylamino)-methyl ]-piperidine-1-carboxylic acid tert-butyl ester
4-[(6-Ethoxypyrimidin-4-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester
4-[(6-Ethoxypyrimidin-4-ylamino)-methyl]piperidine-1-carboxylic acid tert-butyl ester
4-[(6-Ethoxy-pyrimidin-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: 1.1±0.1 g/cm3
    Boiling Point: 486.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.2±3.0 kJ/mol
    Flash Point: 248.0±24.6 °C
    Index of Refraction: 1.538
    Molar Refractivity: 92.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.18
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 151.24
    ACD/KOC (pH 5.5): 1203.80
    ACD/LogD (pH 7.4): 3.27
    ACD/BCF (pH 7.4): 179.25
    ACD/KOC (pH 7.4): 1426.72
    Polar Surface Area: 77 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 47.6±3.0 dyne/cm
    Molar Volume: 296.6±3.0 cm3

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