ChemSpider 2D Image | 2-Methyl-2-propanyl (3R)-3-cyano-3-hydroxy-1-piperidinecarboxylate | C11H18N2O3

2-Methyl-2-propanyl (3R)-3-cyano-3-hydroxy-1-piperidinecarboxylate

  • Molecular FormulaC11H18N2O3
  • Average mass226.272 Da
  • Monoisotopic mass226.131744 Da
  • ChemSpider ID114452086

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Cyano-3-hydroxy-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester, (3R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R)-3-cyano-3-hydroxy-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R)-3-cyan-3-hydroxy-1-piperidincarboxylat [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: 370.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 177.7±27.9 °C
Index of Refraction: 1.512
Molar Refractivity: 58.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 50.38
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 50.36
Polar Surface Area: 74 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 193.8±5.0 cm3

Click to predict properties on the Chemicalize site


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