CAS
942144-42-5 Purity
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942144-42-5 Purity
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Specification
The molecular formula is C12H17ClN2.
The molecular weight is 224.73 g/mol.
The IUPAC name is 2-(1H-indol-3-yl)-2-methylpropan-1-amine;hydrochloride.
The InChI is InChI=1S/C12H16N2.ClH/c1-12(2,8-13)10-7-14-11-6-4-3-5-9(10)11;/h3-7,14H,8,13H2,1-2H3;1H.
The InChIKey is KNKHXRCEFPEPTO-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(CN)C1=CNC2=CC=CC=C21.Cl.
The CAS number is 942148-13-2.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 1.
Yes, it is a canonicalized compound.