4-(4-Fluorobenzoyl)piperidine-1-acetonitrile

Base Information

• Chemical Name: 4-(4-Fluorobenzoyl)piperidine-1-acetonitrile
• CAS No.: 84682-24-6
• Molecular Formula: C14H15 F N2 O
• Molecular Weight: 246.2801032
• European Community (EC) Number: 283-586-2
• DSSTox Substance ID: DTXSID20233671
• Nikkaji Number: J333.116D
• Wikidata: Q83115297
• Mol file: 84682-24-6.mol

Synonyms:4-(4-Fluorobenzoyl)piperidine-1-acetonitrile;84682-24-6;EINECS 283-586-2;2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile;SCHEMBL9670980;DTXSID20233671;MSMHDJPCXSJKSY-UHFFFAOYSA-N;C14-H15-F-N2-O;4-(4-Fluorobenzoyl)-1-piperidineacetonitrile;N-(cyanomethyl)-4-(p-fluorobenzoyl)-piperidine

Chemical Property of 4-(4-Fluorobenzoyl)piperidine-1-acetonitrile

Chemical Property:

• Vapor Pressure: 2.88E-06mmHg at 25°C
• Boiling Point: 389.3°C at 760 mmHg
• PKA: 4.42±0.10(Predicted)
• Flash Point: 189.2°C
• PSA: 44.10000
• Density: 1.174g/cm³
• LogP: 2.18188
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 246.11684127
• Heavy Atom Count: 18
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CC#N

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