ChemSpider 2D Image | ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-methylpyrimidine-5-carboxylate | C17H26N4O4

ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-methylpyrimidine-5-carboxylate

  • Molecular FormulaC17H26N4O4
  • Average mass350.413 Da
  • Monoisotopic mass350.195404 Da
  • ChemSpider ID28293771

More details:

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

1150163-72-6 [RN]
4-Méthyl-2-(4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-pipérazinyl)-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-4-methyl-, ethyl ester [ACD/Index Name]
ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-methylpyrimidine-5-carboxylate
Ethyl 4-methyl-2-(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-methyl-2-(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
[1150163-72-6] [RN]
Ethyl 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
ETHYL 2-{4-[(TERT-BUTOXY)CARBONYL]PIPERAZIN-1-YL}-4-METHYLPYRIMIDINE-5-CARBOXYLATE
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
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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: 485.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 247.4±31.5 °C
    Index of Refraction: 1.533
    Molar Refractivity: 92.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.20
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 137.07
    ACD/KOC (pH 5.5): 1164.98
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 142.55
    ACD/KOC (pH 7.4): 1211.60
    Polar Surface Area: 85 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 297.1±3.0 cm3

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