ChemSpider 2D Image | tert-Butyl 4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate | C15H21N5O2

tert-Butyl 4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate

  • Molecular FormulaC15H21N5O2
  • Average mass303.359 Da
  • Monoisotopic mass303.169525 Da
  • ChemSpider ID24598404

More details:

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

1,1-Dimethylethyl 4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1-piperazinecarboxylate
1-Piperazinecarboxylic acid, 4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(5H-Pyrrolo[3,2-d]pyrimidin-4-yl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
853679-45-5 [RN]
tert-Butyl 4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate
1-piperazinecarboxylic acid,4-(5h-pyrrolo[3,2-d]pyrimidin-4-yl)-,1,1-dimethylethyl ester
MFCD13195352

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 489.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.6±3.0 kJ/mol
    Flash Point: 249.8±28.7 °C
    Index of Refraction: 1.615
    Molar Refractivity: 83.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.42
    ACD/LogD (pH 5.5): 0.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.74
    ACD/LogD (pH 7.4): 1.70
    ACD/BCF (pH 7.4): 9.19
    ACD/KOC (pH 7.4): 131.26
    Polar Surface Area: 74 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 60.7±3.0 dyne/cm
    Molar Volume: 238.8±3.0 cm3

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