ChemSpider 2D Image | tert-Butyl 3-((6-iodo-3-methoxypyridin-2-yloxy)methyl)pyrrolidine-1-carboxylate | C16H23IN2O4

tert-Butyl 3-((6-iodo-3-methoxypyridin-2-yloxy)methyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC16H23IN2O4
  • Average mass434.269 Da
  • Monoisotopic mass434.070251 Da
  • ChemSpider ID25073115

More details:

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

1,1-Dimethylethyl 3-[[(6-iodo-3-methoxy-2-pyridinyl)oxy]methyl]-1-pyrrolidinecarboxylate
1186311-18-1 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[(6-iodo-3-methoxy-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(6-iodo-3-methoxy-2-pyridinyl)oxy]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(6-iod-3-methoxy-2-pyridinyl)oxy]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-{[(6-Iodo-3-méthoxy-2-pyridinyl)oxy]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD12922763 [MDL number]
tert-Butyl 3-((6-iodo-3-methoxypyridin-2-yloxy)methyl)pyrrolidine-1-carboxylate
TERT-BUTYL 3-{[(6-IODO-3-METHOXYPYRIDIN-2-YL)OXY]METHYL}PYRROLIDINE-1-CARBOXYLATE
[1186311-18-1] [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: 463.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.4±3.0 kJ/mol
    Flash Point: 233.9±28.7 °C
    Index of Refraction: 1.559
    Molar Refractivity: 95.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.57
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 191.65
    ACD/KOC (pH 5.5): 1497.68
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 191.65
    ACD/KOC (pH 7.4): 1497.68
    Polar Surface Area: 61 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 295.7±3.0 cm3

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