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Specification
The molecular formula is C9H13Cl2NO.
Some synonyms include 7569-60-0, 2-(3-chloro-4-methoxyphenyl)ethanamine; hydrochloride, and 2-(3-Chloro-4-methoxyphenyl)ethylamine hydrochloride.
The molecular weight is 222.11 g/mol.
The IUPAC name is 2-(3-chloro-4-methoxyphenyl)ethanamine; hydrochloride.
The InChI is InChI=1S/C9H12ClNO.ClH/c1-12-9-3-2-7(4-5-11)6-8(9)10;/h2-3,6H,4-5,11H2,1H3;1H.
The InChIKey is VGUBBPZQDURYFN-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C(C=C1)CCN)Cl.Cl.
The CAS number is 7569-60-0.
Yes, it is a canonicalized compound according to PubChem.