AG002D8H

201150-73-4 | 2(1H)-Isoquinolinecarboxylic acid, 5-amino-3,4-dihydro-, 1,1-dimethylethyl ester

AG002D8H

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CAS Number	201150-73-4
Catalog Number	AG002D8H(AGN-PC-01LR99)
Chemical Name	2(1H)-Isoquinolinecarboxylic acid, 5-amino-3,4-dihydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 5-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI	InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9,15H2,1-3H3
InChI Key	SISNTWMRMJDEFB-UHFFFAOYSA-N
MDL Number	MFCD02179750
Molecular Formula	C14H20N2O2
Molecular Weight	248.3208
SMILES	NC1=C2CCN(CC2=CC=C1)C(=O)OC(C)(C)C
Synonyms	201150-73-4, tert-Butyl 5-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate, 5-Amino-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline, tert-butyl 5-amino-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, 5-AMINO-2-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE, 5-amino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester, tert-butyl 5-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate, SCHEMBL394214, CTK4E3319, DTXSID10590568, SISNTWMRMJDEFB-UHFFFAOYSA-N, KS-00000H8N, 0324AB, MFCD02179750, ZINC19721338, AKOS005765991, AB11426, CS-W009175, MCULE-2573295418, RP14153, SS-4025, VQ10252, AJ-74367, AK113660, AN-30165, BC288906, SC-65324, AB0070172, DB-045096, ST2407714, TR-009367, 4CH-017082, FT-0643875, tertbutylaminotetrahydroisoquinolinecarboxylate, UX00000371, EN300-72732, 2-Boc-1,2,3,4-tetrahydroisoquinolin-5-amine, Z-5356, 150A734, 5-Amino-2-N-BOC-1,2,3,4-tetrahydroisoquinoline, A814254, I05-2345, J-524728, 5-amino-3,4-dihydro-1H-isoquinoline-2-carboxylic a, Z1262255452, tert-butyl 5-azanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate, 5-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline, 5-AMINO-2-(TERT-BUTYLOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, 5-Amino-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline, AldrichCPR, 2(1H)-Isoquinolinecarboxylic acid, 5-amino-3,4-dihydro-, 1,1-dimethylethyl ester, 2(1H)-Isoquinolinecarboxylicacid, 5-amino-3,4-dihydro-, 1,1-dimethylethyl ester, C14H20N2O2, tert-Butyl5-amino-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	248.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.326g/mol
Monoisotopic Mass	248.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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