AG007UFD

170097-67-3 | 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

AG007UFD

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CAS Number	170097-67-3
Catalog Number	AG007UFD(AGN-PC-007HOU)
Chemical Name	2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
InChI	InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChI Key	UHOIFEOHBGCPHE-UHFFFAOYSA-N
MDL Number	MFCD05861548
Molecular Formula	C15H19NO4
Molecular Weight	277.3157
SMILES	O=C(C1=CC2=C(CN(C(OC(C)(C)C)=O)CC2)C=C1)O
Synonyms	170097-67-3, 2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 3,4-Dihydro-1H-isoquinoline-2,6-dicarboxylic acid 2-tert-butyl ester, AK-33647, 2-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-6-CARBOXYLIC ACID, 2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid, UHOIFEOHBGCPHE-UHFFFAOYSA-N, PubChem16369, SCHEMBL306991, CTK4D3483, DTXSID20463496, ACT09095, KS-00000K0L, ANW-69279, MFCD05861548, ZINC16697170, 2,6(1H)-Isoquinolinedicarboxylicacid,3,4-dihydro-,2-(1,1-dimethylethyl)ester, AKOS015909489, CS-W005911, PB20129, QC-7296, RTX-010999, 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic Acid, AJ-69273, AM803316, AN-30839, BBV-45000437, BC654555, DS-12491, OR313034, SC-70783, AB0005411, AX8027736, DB-005262, FT-0082487, FT-0650113, ST24039770, X4680, A20056, D57110, Q-2621, 097B673, J-010596, N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic, I14-33191, 2-Boc-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid, n-boc-6-hydroxycarbonyl-1,2,3,4-tetrahydroisoquinoline, 2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonic acid, 3,4-Dihydro-1H-isoquinoline-2,6-dicarboxylic acid 2-tert-butylester, 2,6(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester, 2-{[(1,1-dimethylethyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isoquinoline carboxylic acid, 2-{[(1,1-dimethylethyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isoquinolinecarboxylic acid, 2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isoquinolinecarboxylic acid, 462070-49-1, C15H19NO4, CID11357887, A3755, N-Boc-1,2,3,4-Tetrahydroisoquinoline-6-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	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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