ChemSpider 2D Image | Methyl 4-piperidin-4-yl-benzate | C13H17NO2

Methyl 4-piperidin-4-yl-benzate

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID21108037

More details:

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

281235-04-9 [RN]
4-(4-Pipéridinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-piperidinyl)-, methyl ester [ACD/Index Name]
Methyl 4-(4-piperidinyl)benzoate [ACD/IUPAC Name]
Methyl 4-(piperidin-4-yl)benzoate
Methyl 4-piperidin-4-yl-benzate
Methyl 4-piperidin-4-yl-benzoate
Methyl-4-(4-piperidinyl)benzoat [German] [ACD/IUPAC Name]
[281235-04-9] [RN]
4-(4-piperidinyl)benzoic acid methyl ester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-11327]
    • Safety:

      20/21/22 Novochemy [NC-11327]
      20/21/36/37/39 Novochemy [NC-11327]
      GHS07; GHS09 Novochemy [NC-11327]
      H332; H403 Novochemy [NC-11327]
      P309+P311; P211; P242 Novochemy [NC-11327]
      R52/53 Novochemy [NC-11327]
      Warning Novochemy [NC-11327]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 340.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 159.6±27.9 °C
Index of Refraction: 1.524
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 38 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 204.6±3.0 cm3

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