ChemSpider 2D Image | tert-butyl 2-(6-chloropyridin-3-yl)pyrrolidine-1-carboxylate | C14H19ClN2O2

tert-butyl 2-(6-chloropyridin-3-yl)pyrrolidine-1-carboxylate

  • Molecular FormulaC14H19ClN2O2
  • Average mass282.766 Da
  • Monoisotopic mass282.113495 Da
  • ChemSpider ID35475759

More details:

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

1352534-35-0 [RN]
1-Pyrrolidinecarboxylic acid, 2-(6-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(6-Chloro-3-pyridinyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(6-chloro-3-pyridinyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(6-chlor-3-pyridinyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-(6-chloropyridin-3-yl)pyrrolidine-1-carboxylate
2-(6-Chloro-pyridin-3-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester
DS-19097
MFCD20530216
O=C(N1C(C2=CC=C(Cl)N=C2)CCC1)OC(C)(C)C
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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: 385.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 187.1±27.9 °C
    Index of Refraction: 1.541
    Molar Refractivity: 74.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 95.90
    ACD/KOC (pH 5.5): 912.44
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 95.90
    ACD/KOC (pH 7.4): 912.44
    Polar Surface Area: 42 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 45.4±3.0 dyne/cm
    Molar Volume: 236.3±3.0 cm3

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