174899-82-2 Purity
≥98%
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Specification
The molecular formula is C15H29BrN2.
The molecular weight is 317.31 g/mol.
The IUPAC name is 1-decyl-2,3-dimethylimidazol-3-ium bromide.
The InChI of the compound is InChI=1S/C15H29N2.BrH/c1-4-5-6-7-8-9-10-11-12-17-14-13-16(3)15(17)2;/h13-14H,4-12H2,1-3H3;1H/q+1;/p-1.
The InChIKey of the compound is AIRABDWLEWAYBF-UHFFFAOYSA-M.
The canonical SMILES of the compound is CCCCCCCCCCN1C=C[N+](=C1C)C.[Br-].
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 1.
The rotatable bond count is 9.
Yes, the compound is canonicalized.
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