AG008RPA

1029689-82-4 | 8-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​, methyl ester, hydrochloride (1:1)

AG008RPA

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CAS Number	1029689-82-4
Catalog Number	AG008RPA(AGN-PC-0WAKTU)
Chemical Name	8-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​, methyl ester, hydrochloride (1:1)
IUPAC Name	methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate;hydrochloride
InChI	InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-4-2-3-8-5-6-12-7-10(8)9;/h2-4,12H,5-7H2,1H3;1H
InChI Key	COQHHVHUWVSLQP-UHFFFAOYSA-N
MDL Number	MFCD08460905
Molecular Formula	C11H14ClNO2
Molecular Weight	227.6874
SMILES	C(=O)(OC)c1c2c(ccc1)CCNC2.Cl
Synonyms	1029689-82-4, METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-8-CARBOXYLATE HYDROCHLORIDE, 1,2,3,4-Tetrahydro-8-isoquinolinecarboxylic acid methyl ester HCl, SCHEMBL4158562, CTK6J0600, 4188AJ, MFCD08460905, KS-000007C7, AK151965, AS-32855, DB-010779, CS-0049263, FT-0749876, ST24047545, Q-3459, Methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate HCl, 8-METHOXYCARBONYL-1,2,3,4-TETRAHYDROISOQUINOLINE HCL, METHYL 1,2,3,4-TETRAHYDROISOQUINOLIN-8-CARBOXYLATE HCL, methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate;hydrochloride, 1,2,3,4-Tetrahydro-isoquinoline-8-carboxylic acid methyl ester hydrochloride, C11H13NO2.HCl, 8-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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