4101-32-0 Purity
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Specification
The molecular formula is C12H16ClNO2.
The PubChem CID is 67667338.
The synonyms are 41220-49-9, (R)-Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride, ethyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride, D-ETHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE, ethyl (R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride.
The molecular weight is 241.71 g/mol.
The parent compound is ethyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CID 1133327).
The component compounds are Hydrochloric Acid (CID 313) and ethyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CID 1133327).
The IUPAC name is ethyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride.
The InChI is InChI=1S/C12H15NO2.ClH/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11;/h3-6,11,13H,2,7-8H2,1H3;1H/t11-;/m1./s1.
The Canonical SMILES is CCOC(=O)C1CC2=CC=CC=C2CN1.Cl.
The molecular weight is 241.71 g/mol, the hydrogen bond donor count is 2, and the hydrogen bond acceptor count is 3.