Benzyl 6-isocyanohexanoate

Base Information

• Chemical Name: Benzyl 6-isocyanohexanoate
• CAS No.: 244221-07-6
• Molecular Formula: C14H17NO2
• DSSTox Substance ID: DTXSID60709704
• Nikkaji Number: J3.140.716H
• Wikidata: Q82644807
• Mol file: 244221-07-6.mol

Synonyms:BENZYL 6-ISOCYANOHEXANOATE;244221-07-6;SCHEMBL7864233;DTXSID60709704;6-Isocyanohexanoic acid benzyl ester

Chemical Property of Benzyl 6-isocyanohexanoate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 231.125928785
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]CCCCCC(=O)OCC1=CC=CC=C1