AG007WTI

151838-62-9 | 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester

AG007WTI

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CAS Number	151838-62-9
Catalog Number	AG007WTI(AGN-PC-0JULKY)
Chemical Name	2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
InChI	InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChI Key	HFPVZPNLMJDJFB-UHFFFAOYSA-N
MDL Number	MFCD02060701
Molecular Formula	C15H19NO4
Molecular Weight	277.3157
SMILES	CC(C)(C)OC(=O)N1CC2=C(CC1C(O)=O)C=CC=C2
Synonyms	151838-62-9, 2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester, N-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, N-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, F2147-1647, 2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, HFPVZPNLMJDJFB-UHFFFAOYSA-N, Boc-L-Tic, ACMC-20abuc, PubChem17037, AC1MC3SM, SCHEMBL66872, SCHEMBL14067913, CTK4C7224, KS-00000KCR, DTXSID00370856, 7616AA, ANW-66274, CL1041, MFCD02060701, STL235177, AKOS000169208, AKOS016843307, MCULE-9602907025, PS-4687, TRA0003218, AK-32916, AK-36394, AK-77630, Q696, SY018440, AB0017751, DB-000541, TC-155019, 4CH-004606, 4CH-016877, FT-0738166, ST24039771, X-1786, MFCD00143845 (97+%), N-Boc-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, 2-N-Boc-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-(tert-butoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 3,4-Dihydro-1H-isoquinoline-2,3-dicarboxylic acid-2-tertbutyl ester, (R,S)-2-tert-Butoxycarbonyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, Boc-Tic-OH, Boc-D-Tic-OH, MLS000080285, C15H19NO4, CID2735649, 78879-20-6, (S)-N-Boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 115962-35-1, N-Boc-L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (R)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid,

Complexity	388
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.131g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	277.32g/mol
Monoisotopic Mass	277.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
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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