AG00BEOQ

216064-48-1 | tert-Butyl 5-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate

AG00BEOQ

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CAS Number	216064-48-1
Catalog Number	AG00BEOQ(AGN-PC-0N673Y)
Chemical Name	tert-Butyl 5-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
IUPAC Name	tert-butyl 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI	InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-8-7-11-10(9-15)5-4-6-12(11)16/h4-6,16H,7-9H2,1-3H3
InChI Key	HOTHBGIMLRDQNB-UHFFFAOYSA-N
MDL Number	MFCD08275037
Molecular Formula	C14H19NO3
Molecular Weight	249.3056
SMILES	O=C(N1CC2=C(C(O)=CC=C2)CC1)OC(C)(C)C
Synonyms	216064-48-1, tert-butyl 5-Hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate, 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester, Tert-butyl 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate, 2-Boc-5-hydroxy-1,2,3,4-tetrahydroisoquinoline, tert-butyl 5-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, TERT-BUTYL 3,4-DIHYDRO-5-HYDROXYISOQUINOLINE-2(1H)-CARBOXYLATE, SCHEMBL1958196, CTK4E7289, DTXSID70441486, HOTHBGIMLRDQNB-UHFFFAOYSA-N, 0992AB, MFCD08275037, SBB100589, ZINC34936495, AKOS015897189, AB44594, KS-00000H89, AJ-90434, AS-44790, ES-00001, DB-008975, FT-0600496, Z-7895, A815516, I08-947, Z1741970806, 2-t-butoxycarbonyl-5-hydroxy-1,2,3,4-tetrahydroisoquinoline, tert-Butyl 5-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate, tert-Butyl 5-hydroxy-3,4-dihydroisoquinoline-2(1H)carboxylate, tert-butyl-5-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl 5-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate, 2-Methyl-2-propanyl 5-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate, 2(1H)-Isoquinolinecarboxylicacid, 3,4-dihydro-5-hydroxy-, 1,1-dimethylethyl ester, tert-butyl 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate, 216064-48-1, C14H19NO3, CID10538586, tert-Butyl5-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate, TERT-BUTYL5-HYDROXY-3,4-DIHYDROISOQUINOLINE-2 -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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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