3-Cyclopropylaminomethyl-benzonitrile

Base Information

• Chemical Name: 3-Cyclopropylaminomethyl-benzonitrile
• CAS No.: 954580-85-9
• Molecular Formula: C11H12N2
• Molecular Weight: 172.23
• DSSTox Substance ID: DTXSID50588621
• Wikidata: Q82481405
• Mol file: 954580-85-9.mol

Synonyms:3-Cyclopropylaminomethyl-benzonitrile;954580-85-9;3-[(CYCLOPROPYLAMINO)METHYL]BENZONITRILE;3-((cyclopropylamino)methyl)benzonitrile;SCHEMBL19650829;DTXSID50588621;3-cyclopropylaminomethyl benzonitrile;AKOS000150704;AM101744

Chemical Property of 3-Cyclopropylaminomethyl-benzonitrile

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

≥95% ^*data from raw suppliers

3-Cyclopropylaminomethyl-benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1CC1NCC2=CC(=CC=C2)C#N

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