Methyl 5-isocyanopentanoate

Base Information

• Chemical Name: Methyl 5-isocyanopentanoate
• CAS No.: 72135-08-1
• Molecular Formula: C₇H₁₁NO₂
• Molecular Weight: 141.17
• DSSTox Substance ID: DTXSID60374799
• Wikidata: Q82163361
• Mol file: 72135-08-1.mol

Synonyms:Methyl 5-isocyanopentanoate;72135-08-1;5-Isocyanovaleric acid methyl ester;SCHEMBL3565840;DTXSID60374799;AKOS006293198;GS-0090

Chemical Property of Methyl 5-isocyanopentanoate

Chemical Property:

• PSA: 26.30000
• LogP: 0.47970
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 141.078978594
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCC[N+]#[C-]

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