CAS
401-79-6 Purity
98%
401-79-6 Purity
98%
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Specification
The molecular formula is C8H12ClNO2.
The molecular weight is 189.64 g/mol.
The IUPAC name is 5-(aminomethyl)-2-methoxyphenol;hydrochloride.
The InChI is InChI=1S/C8H11NO2.ClH/c1-11-8-3-2-6(5-9)4-7(8)10;/h2-4,10H,5,9H2,1H3;1H.
The InChIKey is IEVBKUSXLSVMOB-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C(C=C1)CN)O.Cl.
The CAS number is 42365-68-4.
The European Community (EC) number is 626-755-1.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 3.