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The molecular formula is C10H12ClN.
The molecular weight is 181.66 g/mol.
The IUPAC name is 1-phenylbut-3-yn-1-amine;hydrochloride.
The InChI key is QUKYKRZXFRAGIV-UHFFFAOYSA-N.
The canonical SMILES is C#CCC(C1=CC=CC=C1)N.Cl.
The CAS number is 1177093-09-2.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 1.
The rotatable bond count is 2.
Yes, it is a canonicalized compound.
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