ChemSpider 2D Image | 1-Benzyl 3-ethyl (3R)-4-oxo-1,3-piperidinedicarboxylate | C16H19NO5

1-Benzyl 3-ethyl (3R)-4-oxo-1,3-piperidinedicarboxylate

  • Molecular FormulaC16H19NO5
  • Average mass305.326 Da
  • Monoisotopic mass305.126312 Da
  • ChemSpider ID32789436

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4-Oxo-1,3-pipéridinedicarboxylate de 1-benzyle et de 3-éthyle [French] [ACD/IUPAC Name]
1,3-Piperidinedicarboxylic acid, 4-oxo-, 3-ethyl 1-(phenylmethyl) ester, (3R)- [ACD/Index Name]
1-Benzyl 3-ethyl (3R)-4-oxo-1,3-piperidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-3-ethyl-(3R)-4-oxo-1,3-piperidindicarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 446.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 223.8±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.23
ACD/KOC (pH 5.5): 370.49
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.22
ACD/KOC (pH 7.4): 370.41
Polar Surface Area: 73 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

Click to predict properties on the Chemicalize site


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