ChemSpider 2D Image | 1,1-Dimethylethyl 2-(2-chloroethyl)-2-cyano-1-piperidinecarboxylate | C13H21ClN2O2

1,1-Dimethylethyl 2-(2-chloroethyl)-2-cyano-1-piperidinecarboxylate

  • Molecular FormulaC13H21ClN2O2
  • Average mass272.771 Da
  • Monoisotopic mass272.129150 Da
  • ChemSpider ID28290240

More details:






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

1,1-Dimethylethyl 2-(2-chloroethyl)-2-cyano-1-piperidinecarboxylate
1-Piperidinecarboxylic acid, 2-(2-chloroethyl)-2-cyano-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(2-Chloroéthyl)-2-cyano-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(2-chloroethyl)-2-cyano-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(2-chlorethyl)-2-cyan-1-piperidincarboxylat [German] [ACD/IUPAC Name]
960294-15-9 [RN]
[960294-15-9]
2-(2-chloroethyl)-2-cyano-1-piperidinecarboxylic acid tert-butyl ester
http:////www.amadischem.com/proen/499073/
MFCD18206761 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 388.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 188.9±23.7 °C
Index of Refraction: 1.500
Molar Refractivity: 70.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.04
ACD/KOC (pH 5.5): 1392.10
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.04
ACD/KOC (pH 7.4): 1392.10
Polar Surface Area: 53 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 240.4±5.0 cm3

Click to predict properties on the Chemicalize site






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