ChemSpider 2D Image | tert-butyl 4-(4-cyanopyrimidin-2-yl)piperazine-1-carboxylate | C14H19N5O2

tert-butyl 4-(4-cyanopyrimidin-2-yl)piperazine-1-carboxylate

  • Molecular FormulaC14H19N5O2
  • Average mass289.333 Da
  • Monoisotopic mass289.153870 Da
  • ChemSpider ID22753556

More details:

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

1,1-Dimethylethyl 4-(4-cyano-2-pyrimidinyl)-1-piperazinecarboxylate
1135283-51-0 [RN]
1-Piperazinecarboxylic acid, 4-(4-cyano-2-pyrimidinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-cyano-2-pyrimidinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-cyan-2-pyrimidinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(4-Cyano-2-pyrimidinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(4-cyanopyrimidin-2-yl)piperazine-1-carboxylate
(2H)-pyrazinecarboxylate
cyanopyrimidinyltetrahydropyrazinecarboxylate
KC-0746
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 469.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 237.5±31.5 °C
    Index of Refraction: 1.574
    Molar Refractivity: 76.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.95
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 11.88
    ACD/KOC (pH 5.5): 204.57
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 11.88
    ACD/KOC (pH 7.4): 204.59
    Polar Surface Area: 82 Å2
    Polarizability: 30.2±0.5 10-24cm3
    Surface Tension: 62.0±5.0 dyne/cm
    Molar Volume: 230.9±5.0 cm3

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