2-Butylhexanenitrile structure

2-Butylhexanenitrile

2-butylhexanenitrile

Also Known As: 2-butylhexanenitrile|5-cyanononane|2-butyl-hexanenitrile|Dibutylessigsaeure-nitril|J3.721.077C

CAS: 4528-41-0
Molecular Formula C10H19N
Molecular Weight 153.15175 g/mol
LogP 3.9
Topological Polar Surface Area 23.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 6
Exact Mass 153.15175
Monoisotopic Mass 153.15175
Heavy Atoms 11
Complexity 112.0

Chemical Identifiers

CAS Number 4528-41-0
SMILES CCCCC(CCCC)C#N
InChIKey XJAZNBIFHCOPGP-UHFFFAOYSA-N

Product Overview

2-Butylhexanenitrile (CAS 4528-41-0), with molecular formula C10H19N and molecular weight 153.15175 g/mol. IUPAC: 2-butylhexanenitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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