ChemSpider 2D Image | 3-Ethyl 1-(2-methyl-2-propanyl) 3-(iodomethyl)-1,3-piperidinedicarboxylate | C14H24INO4

3-Ethyl 1-(2-methyl-2-propanyl) 3-(iodomethyl)-1,3-piperidinedicarboxylate

  • Molecular FormulaC14H24INO4
  • Average mass397.249 Da
  • Monoisotopic mass397.074982 Da
  • ChemSpider ID28474058

More details:

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

1,3-Piperidinedicarboxylic acid, 3-(iodomethyl)-, 1-(1,1-dimethylethyl) 3-ethyl ester [ACD/Index Name]
3-(Iodométhyl)-1,3-pipéridinedicarboxylate de 3-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3-Ethyl 1-(2-methyl-2-propanyl) 3-(iodomethyl)-1,3-piperidinedicarboxylate [ACD/IUPAC Name]
3-Ethyl-1-(2-methyl-2-propanyl)-3-(iodmethyl)-1,3-piperidindicarboxylat [German] [ACD/IUPAC Name]
1-tert-Butyl 3-ethyl 3-(iodomethyl)piperidine-1,3-dicarboxylate
948589-00-2 [RN]
MFCD23099283

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: 1.4±0.1 g/cm3
    Boiling Point: 401.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 196.7±24.6 °C
    Index of Refraction: 1.522
    Molar Refractivity: 84.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.37
    ACD/LogD (pH 5.5): 3.44
    ACD/BCF (pH 5.5): 241.59
    ACD/KOC (pH 5.5): 1767.75
    ACD/LogD (pH 7.4): 3.44
    ACD/BCF (pH 7.4): 241.59
    ACD/KOC (pH 7.4): 1767.75
    Polar Surface Area: 56 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 277.1±3.0 cm3

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