91165-61-6 Purity
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Specification
The molecular formula of the compound is C7H13Br2N.
The molecular weight of the compound is 270.99 g/mol.
The IUPAC name of the compound is 2-bromoethyl-dimethyl-prop-2-ynylazanium;bromide.
The InChI of the compound is InChI=1S/C7H13BrN.BrH/c1-4-6-9(2,3)7-5-8;/h1H, 5-7H2,2-3H3;1H/q+1;/p-1.
The InChIKey of the compound is XCVHBSJVDXVDPH-UHFFFAOYSA-M.
The Canonical SMILES of the compound is C[N+](C)(CCBr)CC#C.[Br-].
The CAS number of the compound is 911678-16-5.
The hydrogen bond donor count of the compound is 0.
The hydrogen bond acceptor count of the compound is 1.
The rotatable bond count of the compound is 3.