2-Cyanobutyric acid tert-butyl ester

Base Information

• Chemical Name: 2-Cyanobutyric acid tert-butyl ester
• CAS No.: 1114-82-5
• Molecular Formula: C9H15NO2
• Molecular Weight: 169.224
• DSSTox Substance ID: DTXSID801297585
• Nikkaji Number: J2.427.751H
• Mol file: 1114-82-5.mol

Synonyms:SCHEMBL11455313;PYNITYLGUNMEQU-UHFFFAOYSA-N;DTXSID801297585;1,1-Dimethylethyl 2-cyanobutanoate;2-Cyanobutyric acid tert-butyl ester;2-Cyano-butyric acid tert-butyl ester;1114-82-5

Chemical Property of 2-Cyanobutyric acid tert-butyl ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 169.110278721
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C#N)C(=O)OC(C)(C)C

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