AG00BHPH

212958-77-5 | 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid methyl ester hydrochloride

AG00BHPH

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CAS Number	212958-77-5
Catalog Number	AG00BHPH(AGN-PC-0WNRWY)
Chemical Name	1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid methyl ester hydrochloride
IUPAC Name	methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride
InChI	InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-9-5-3-2-4-8(9)6-7-12-10;/h2-5,10,12H,6-7H2,1H3;1H
InChI Key	DSWUNNVFNAJVCA-UHFFFAOYSA-N
MDL Number	MFCD18914343
Molecular Formula	C11H14ClNO2
Molecular Weight	227.6874
SMILES	O=C(C1NCCC2=C1C=CC=C2)OC.[H]Cl
Synonyms	methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride, 212958-77-5, 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid methyl ester hydrochloride, SCHEMBL1149802, methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hcl, DSWUNNVFNAJVCA-UHFFFAOYSA-N, 4185AJ, MFCD18914343, AKOS024262596, CS-12716, SY195398, MFCD18914343 (95%), Z-5781, Z1276757443, methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride, C11H13NO2.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	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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