AG00D8EE

54329-54-3 | 2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

AG00D8EE

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CAS Number	54329-54-3
Catalog Number	AG00D8EE(AGN-PC-0K0ETW)
Chemical Name	2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
IUPAC Name	2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
InChI	InChI=1S/C11H13NO2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChI Key	SKFOSDNQLGCEHM-UHFFFAOYSA-N
MDL Number	MFCD05667936
Molecular Formula	C11H13NO2
Molecular Weight	191.2264
SMILES	O=C(C1N(C)CC2=C(C=CC=C2)C1)O
Synonyms	54329-54-3, 2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, AC1MKHXL, BAS 08768173, AC1Q3ZLT, SCHEMBL2092090, CTK1G9221, DTXSID50390145, SKFOSDNQLGCEHM-UHFFFAOYSA-N, 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-2-methyl-, HMS1695K05, ALBB-005464, KS-00000K5F, BBL013254, MFCD05667936, SBB015027, STK503421, AKOS000303376, AKOS016341361, AB22435, DS-5108, MCULE-6423381229, QC-9960, WT82546, AK135614, BC689546, ST092167, AB0097968, DB-013366, TR-050879, 4CH-024965, BB 0221300, CS-0061764, FT-0678469, R9392, ST24040800, Y-1787, A830107, I08-0355, F2167-0189, 2-methyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, n-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, N-methyl-1,2,3,4-tetrahydro isoquino line-3-carboxylic acid, CID3157491, 2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, 20335-68-6,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.23g/mol
Monoisotopic Mass	191.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

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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