CAS
1033461-45-8 Purity
≥98%
1033461-45-8 Purity
≥98%
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Specification
The molecular formula is C8H15BrN2.
The molecular weight is 219.12 g/mol.
The IUPAC name is 1,2-dimethyl-3-propylimidazol-1-ium bromide.
The InChI is InChI=1S/C8H15N2.BrH/c1-4-5-10-7-6-9(3)8(10)2;/h6-7H,4-5H2,1-3H3;1H/q+1;/p-1.
The InChIKey is BHMXHXYTOVFXGM-UHFFFAOYSA-M.
The canonical SMILES is CCCN1C=C[N+](=C1C)C.[Br-].
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 1.
It has 2 rotatable bonds.
The topological polar surface area is 8.8 ?2.