ChemSpider 2D Image | tert-Butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate | C14H20ClN3O2

tert-Butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate

  • Molecular FormulaC14H20ClN3O2
  • Average mass297.780 Da
  • Monoisotopic mass297.124420 Da
  • ChemSpider ID22525048

More details:

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

1,1-Dimethylethyl 4-(2-chloro-4-pyrimidinyl)-1-piperidinecarboxylate
1001754-82-0 [RN]
1-Piperidinecarboxylic acid, 4-(2-chloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(2-chloro-4-pyrimidinyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(2-chlor-4-pyrimidinyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(2-Chloro-4-pyrimidinyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD10001439 [MDL number]
tert-Butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
[1001754-82-0] [RN]
100175-48-2 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 436.1±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.2±3.0 kJ/mol
    Flash Point: 217.5±26.8 °C
    Index of Refraction: 1.535
    Molar Refractivity: 77.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.74
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 56.71
    ACD/KOC (pH 5.5): 626.46
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.71
    ACD/KOC (pH 7.4): 626.47
    Polar Surface Area: 55 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 47.5±3.0 dyne/cm
    Molar Volume: 247.3±3.0 cm3

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