ChemSpider 2D Image | Ethyl 6-(2-methyl-2-propanyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylate | C12H17NO3

Ethyl 6-(2-methyl-2-propanyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID24540909

More details:






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

3-Pyridinecarboxylic acid, 6-(1,1-dimethylethyl)-1,4-dihydro-4-oxo-, ethyl ester [ACD/Index Name]
6-(2-Méthyl-2-propanyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(2-methyl-2-propanyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-6-(2-methyl-2-propanyl)-4-oxo-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
[134653-98-8]
134653-98-8 [RN]
'134653-98-8
6-tert-Butyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
6-tert-butyl-4-oxo-1H-pyridine-3-carboxylic acid ethyl ester
Ethyl 6-(tert-butyl)-4-oxo-1,4-dihydropyridine-3-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-33000]
    • Safety:

      20/21/22 Novochemy [NC-33000]
      20/21/36/37/39 Novochemy [NC-33000]
      GHS07; GHS09 Novochemy [NC-33000]
      H332; H403 Novochemy [NC-33000]
      P301+P310; P337+P313 Novochemy [NC-33000]
      Warning Novochemy [NC-33000]
      Xn Novochemy [NC-33000]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 324.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.2±27.9 °C
Index of Refraction: 1.501
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.58
ACD/KOC (pH 5.5): 103.47
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.57
ACD/KOC (pH 7.4): 103.28
Polar Surface Area: 55 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 201.9±3.0 cm3

Click to predict properties on the Chemicalize site






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