2-(Azepan-1-yl)pyridine-3-carbonitrile

Base Information

• Chemical Name: 2-(Azepan-1-yl)pyridine-3-carbonitrile
• CAS No.: 684648-79-1
• Molecular Formula: C12H15N3
• Molecular Weight: 201.26800
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID101221810
• Mol file: 684648-79-1.mol

Synonyms:2-Azepan-1-ylnicotinonitrile;684648-79-1;2-(azepan-1-yl)pyridine-3-carbonitrile;3-Pyridinecarbonitrile, 2-(hexahydro-1H-azepin-1-yl)-;SCHEMBL3290416;2-(Azepan-1-yl)nicotinonitrile;DTXSID101221810;MFCD08144877;AKOS000166974;AS-9482;CS-0305201;2-(Hexahydro-1H-azepin-1-yl)-3-pyridinecarbonitrile;Z31193755

Chemical Property of 2-(Azepan-1-yl)pyridine-3-carbonitrile

Chemical Property:

• PSA: 39.92000
• LogP: 2.39868
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

2-Azepan-1-ylnicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCN(CC1)C2=C(C=CC=N2)C#N