AG00361T

220247-69-8 | 7-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride

AG00361T

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CAS Number	220247-69-8
Catalog Number	AG00361T(AGN-PC-079GXK)
Chemical Name	7-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride
IUPAC Name	methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride
InChI	InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChI Key	PUEZJQKDZBXXMM-UHFFFAOYSA-N
MDL Number	MFCD03094735
Molecular Formula	C11H14ClNO2
Molecular Weight	227.6874
SMILES	Cl.C1NCCC2=CC=C(C=C12)C(=O)OC
Synonyms	220247-69-8, METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLATE HYDROCHLORIDE, 7-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, Methyl ester, hydrochloride, METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLATE HCL, Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate HCl, 1,2,3,4-Tetrahydro-isoquinoline-7-carboxylic acid methyl ester HCl, SCHEMBL1017102, CTK6J0359, DTXSID00659698, PUEZJQKDZBXXMM-UHFFFAOYSA-N, KS-000006LT, MFCD03094735, AKOS015844803, QC-7292, SB19924, AK-46672, BR-46672, DS-13906, SC-52043, SY097062, AB0023476, DB-031641, TR-010358, 4CH-010099, FT-0759799, ST24030843, W4542, MFCD03094735 (95%), S-5507, methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride, 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-CARBOXYLIC acid methyl ESTER hydrochloride, 1,2,3,4-TETRAHYDroisoQUINOLINE-7-CARBOXYLIC acid methyl ESTER hydrochloride, Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate--hydrogen chloride (1/1), C11H14ClNO2, 1,2,3,4-Tetrahydro-isoquinoline-7-carboxylic acid, Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate ?HCl,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.071g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	227.688g/mol
Monoisotopic Mass	227.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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