CAS
923009-54-5 Purity
96%
923009-54-5 Purity
96%
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The molecular formula is C12H20ClNO2.
The molecular weight is 245.74 g/mol.
The IUPAC name is 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine hydrochloride.
The InChI is InChI=1S/C12H19NO2.ClH/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2;/h7-8H,4-6,13H2,1-3H3;1H.
The InChIKey is CTDRFXSMYFXGIH-UHFFFAOYSA-N.
The canonical SMILES is CCC1=CC(=C(C=C1OC)CCN)OC.Cl.
The CAS number is 923013-67-6.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 5 rotatable bond counts.