AG001R27

158984-83-9 | 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-hydroxy-, 1,1-dimethylethyl ester

AG001R27

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CAS Number	158984-83-9
Catalog Number	AG001R27(AGN-PC-0MY35W)
Chemical Name	2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-hydroxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI	InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3
InChI Key	IVHHZZKGSYGTKZ-UHFFFAOYSA-N
MDL Number	MFCD08275034
Molecular Formula	C14H19NO3
Molecular Weight	249.3056
SMILES	O=C(N1CC2=C(C=C(O)C=C2)CC1)OC(C)(C)C
Synonyms	158984-83-9, TERT-BUTYL 6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE, N-Boc-6-hydroxy-3,4-dihydro-isoquinoline, Tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate, tert-butyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, 6-Hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester, CHEMBL1766978, tert-butyl6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate, IVHHZZKGSYGTKZ-UHFFFAOYSA-N, PubChem19781, AC1Q1N2P, SCHEMBL450677, CTK4C9904, DTXSID90434971, CS-M1347, KS-00000H8A, 7989AA, ANW-73805, BDBM50341434, MFCD08275034, SBB100586, ZINC16697226, AKOS005765956, AB44585, AN-3454, CB-2008, FE-0745, MCULE-7066568398, RP14203, RTC-010524, AJ-69290, AK-33498, N-Boc-6-hydroxy-3,4-dihydroisoquinoline, SC-23565, AB0075481, DB-007897, TC-010524, A3510, FT-0082034, FT-0600497, ST24050065, VU0494851-1, C-4438, tertbutylhydroxytetrahydroisoquinolinecarboxylate, Q-102316, I14-11854, F2167-0037, 2-tert-Butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline, N-tert-butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline, tert-Butyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate, tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)carboxylate, tert-Butyl-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate, 2-tert-Butoxycarbonyl-6-hydroxy -1,2,3,4-tetrahydroisoquinoline, tert.-butyl 6-hydroxy-3,4-dihydro-1h-isoquinoline-2-carboxylate, 1,1-Dimethylethyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate, 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester, 1,2,3,4-Tetrahydro-6-hydroxyisoquinoline-2-carboxylic acid tert-butyl ester, 2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-6-HYDROXY-, 1,1-DIMETHYLETHYL ESTER, 2(1H)-Isoquinolinecarboxylicacid, 3,4-dihydro-6-hydroxy-, 1,1-dimethylethyl ester, C14H19NO3, ACN-040179, CID10060623, 5-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.136g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.31g/mol
Monoisotopic Mass	249.136g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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