3-Cyano-4-piperidone

Base Information

• Chemical Name: 3-Cyano-4-piperidone
• CAS No.: 19166-75-7
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.1405
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50396344
• Mol file: 19166-75-7.mol

Synonyms:3-CYANO-4-PIPERIDONE;19166-75-7;4-oxopiperidine-3-carbonitrile;SCHEMBL9425872;4-oxo-piperidine-3-carbonitrile;DTXSID50396344;AMY33722;AB1358;MFCD00955834;AKOS006273993;FS-6396;PB21729;CS-0053685;FT-0600454;EN300-1654861;A813511;Q-102986

Chemical Property of 3-Cyano-4-piperidone

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 300.8 °C at 760 mmHg
• PKA: 6.80±0.40(Predicted)
• Flash Point: 135.7 °C
• PSA: 52.89000
• Density: 1.14 g/cm³
• LogP: 0.01738
• Storage Temp.: 2-8°C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Oxo-3-piperidinecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC(C1=O)C#N
• Uses: 4-Oxo-3-piperidinecarbonitrile is a useful synthetic intermediate.