ChemSpider 2D Image | tert-Butyl 3-((3-iodopyridin-2-yloxy)methyl)pyrrolidine-1-carboxylate | C15H21IN2O3

tert-Butyl 3-((3-iodopyridin-2-yloxy)methyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC15H21IN2O3
  • Average mass404.243 Da
  • Monoisotopic mass404.059692 Da
  • ChemSpider ID25073094

More details:

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

1,1-Dimethylethyl 3-[[(3-iodo-2-pyridinyl)oxy]methyl]-1-pyrrolidinecarboxylate
1186310-99-5 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[(3-iodo-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(3-iodo-2-pyridinyl)oxy]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(3-iod-2-pyridinyl)oxy]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-{[(3-Iodo-2-pyridinyl)oxy]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD12922746 [MDL number]
tert-Butyl 3-((3-iodopyridin-2-yloxy)methyl)pyrrolidine-1-carboxylate
TERT-BUTYL 3-{[(3-IODOPYRIDIN-2-YL)OXY]METHYL}PYRROLIDINE-1-CARBOXYLATE
[1186310-99-5] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 437.2±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 218.2±24.6 °C
    Index of Refraction: 1.567
    Molar Refractivity: 88.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 3.38
    ACD/BCF (pH 5.5): 217.36
    ACD/KOC (pH 5.5): 1638.79
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 217.42
    ACD/KOC (pH 7.4): 1639.23
    Polar Surface Area: 52 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 46.8±3.0 dyne/cm
    Molar Volume: 271.7±3.0 cm3

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