CAS
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Specification
The molecular formula is C10H15ClN2O.
The molecular weight is 214.69 g/mol.
The IUPAC name is N-methyl-4-(methylaminomethyl)benzamide hydrochloride.
The InChI is InChI=1S/C10H14N2O.ClH/c1-11-7-8-3-5-9(6-4-8)10(13)12-2;/h3-6,11H,7H2,1-2H3,(H,12,13);1H.
The InChIKey is YLZLKQJQGDLSDU-UHFFFAOYSA-N.
The canonical SMILES is CNCC1=CC=C(C=C1)C(=O)NC.Cl.
The CAS number is 1052541-64-6.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 2.
Yes, it is a canonicalized compound.