ChemSpider 2D Image | tert-butyl 4-(4-(N'-hydroxycarbamimidoyl)pyrimidin-2-yl)piperazine-1-carboxylate | C14H22N6O3

tert-butyl 4-(4-(N'-hydroxycarbamimidoyl)pyrimidin-2-yl)piperazine-1-carboxylate

  • Molecular FormulaC14H22N6O3
  • Average mass322.363 Da
  • Monoisotopic mass322.175354 Da
  • ChemSpider ID25073057

More details:

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

1,1-Dimethylethyl 4-[4-[(hydroxyamino)iminomethyl]-2-pyrimidinyl]-1-piperazinecarboxylate
1135283-52-1 [RN]
1-Piperazinecarboxylic acid, 4-[4-[(hydroxyamino)iminomethyl]-2-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-(N-hydroxycarbamimidoyl)-2-pyrimidinyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-(N-hydroxycarbamimidoyl)-2-pyrimidinyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[4-(N-Hydroxycarbamimidoyl)-2-pyrimidinyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(4-(N'-hydroxycarbamimidoyl)pyrimidin-2-yl)piperazine-1-carboxylate
aminohydroxyiminomethylpyrimidinyltetrahydropyrazinecarboxylate
KC-0748
MFCD11841012 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 549.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.3±3.0 kJ/mol
    Flash Point: 286.2±32.9 °C
    Index of Refraction: 1.626
    Molar Refractivity: 84.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 1.13
    ACD/BCF (pH 5.5): 3.73
    ACD/KOC (pH 5.5): 76.00
    ACD/LogD (pH 7.4): 1.37
    ACD/BCF (pH 7.4): 6.50
    ACD/KOC (pH 7.4): 132.47
    Polar Surface Area: 117 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 53.9±7.0 dyne/cm
    Molar Volume: 237.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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