ChemSpider 2D Image | 3-Iodo-1-(4-methoxybenzyl)-2-piperidinone | C13H16INO2

3-Iodo-1-(4-methoxybenzyl)-2-piperidinone

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID26528235

More details:

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

2-Piperidinone, 3-iodo-1-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
3-Iod-1-(4-methoxybenzyl)-2-piperidinon [German] [ACD/IUPAC Name]
3-Iodo-1-(4-methoxybenzyl)-2-piperidinone [ACD/IUPAC Name]
3-Iodo-1-(4-méthoxybenzyl)-2-pipéridinone [French] [ACD/IUPAC Name]
1245646-02-9 [RN]
3-iodo-1-(4-methoxybenzyl)piperidin-2-one
3-Iodo-1-[(4-methoxyphenyl)methyl]piperidin-2-one
MFCD17677254 [MDL number]
UNII-XO254YE73I
  • Miscellaneous

    • Appearance:

      Not Available Novochemy [NC-18739]

    • Safety:

      20/21/22 Novochemy [NC-18739]
      20/21/36/37/39 Novochemy [NC-18739]
      GHS07; GHS09 Novochemy [NC-18739]
      H332; H403 Novochemy [NC-18739]
      P301+P310; P337+P313 Novochemy [NC-18739]
      R52/53 Novochemy [NC-18739]
      Warning Novochemy [NC-18739]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 456.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.7±28.7 °C
Index of Refraction: 1.618
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.69
ACD/KOC (pH 5.5): 528.27
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.69
ACD/KOC (pH 7.4): 528.27
Polar Surface Area: 30 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

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