ChemSpider 2D Image | Benzyl 4-(2-methoxy-2-oxoethylidene)-1-piperidinecarboxylate | C16H19NO4

Benzyl 4-(2-methoxy-2-oxoethylidene)-1-piperidinecarboxylate

  • Molecular FormulaC16H19NO4
  • Average mass289.326 Da
  • Monoisotopic mass289.131409 Da
  • ChemSpider ID28420458

More details:

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

1-Piperidinecarboxylic acid, 4-(2-methoxy-2-oxoethylidene)-, phenylmethyl ester [ACD/Index Name]
4-(2-Méthoxy-2-oxoéthylidène)-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 4-(2-methoxy-2-oxoethylidene)-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-4-(2-methoxy-2-oxoethyliden)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
40112-93-4 [RN]
4-Methoxycarbonylmethyl ene-piperidine-1-carboxylic acid benzyl ester
4-Methoxycarbonylmethylene-piperidine-1-carboxylic acid benzyl ester
Benzyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-36621]
    • Safety:

      20/21/22 Novochemy [NC-36621]
      20/21/36/37/39 Novochemy [NC-36621]
      GHS07; GHS09 Novochemy [NC-36621]
      H332; H403 Novochemy [NC-36621]
      P332+P313; P305+P351+P338 Novochemy [NC-36621]
      R52/53 Novochemy [NC-36621]
      Warning Novochemy [NC-36621]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 421.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.4±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.36
ACD/KOC (pH 5.5): 738.44
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.36
ACD/KOC (pH 7.4): 738.44
Polar Surface Area: 56 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 233.0±3.0 cm3

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