74440-81-6 Purity
≥98%
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Specification
The molecular formula of N-hexyl-3-metylpyridinium chloride is C12H20ClN.
The molecular weight of N-hexyl-3-metylpyridinium chloride is 213.75 g/mol.
The IUPAC name of N-hexyl-3-metylpyridinium chloride is 1-hexyl-3-methylpyridin-1-ium; chloride.
The InChI key of N-hexyl-3-metylpyridinium chloride is KBIWQQMYCIVDLV-UHFFFAOYSA-M.
The canonical SMILES of N-hexyl-3-metylpyridinium chloride is CCCCCC[N+]1=CC=CC(=C1)C.[Cl-].
The hydrogen bond donor count of N-hexyl-3-metylpyridinium chloride is 0.
The hydrogen bond acceptor count of N-hexyl-3-metylpyridinium chloride is 1.
The rotatable bond count of N-hexyl-3-metylpyridinium chloride is 5.
The topological polar surface area of N-hexyl-3-metylpyridinium chloride is 3.9.
Yes, N-hexyl-3-metylpyridinium chloride is a canonicalized compound.