4253-76-3 Purity
95%
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Specification
The molecular formula is C21H46IN.
The synonyms are trimethyl(octadecyl)azanium;iodide and trimethylocta-decylammonium iodide.
The molecular weight is 439.5 g/mol.
The CAS number is 4292-25-5.
The IUPAC name is trimethyl(octadecyl)azanium;iodide.
The InChI is InChI=1S/C21H46N.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1.
The InChIKey is HIACZXUUKNSHAN-UHFFFAOYSA-M.
The Canonical SMILES is CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[I-].
The Hydrogen Bond Acceptor Count is 1.
The Rotatable Bond Count is 17.