AG000PC3

1196154-55-8 | 2(1H)-Isoquinolinecarboxylic acid, 6-(aminomethyl)-3,4-dihydro-, 1,1-dimethylethyl ester

AG000PC3

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CAS Number	1196154-55-8
Catalog Number	AG000PC3(AGN-PC-0WO09E)
Chemical Name	2(1H)-Isoquinolinecarboxylic acid, 6-(aminomethyl)-3,4-dihydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 6-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI	InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-7-6-12-8-11(9-16)4-5-13(12)10-17/h4-5,8H,6-7,9-10,16H2,1-3H3
InChI Key	GJXOYJWWLHSIRB-UHFFFAOYSA-N
MDL Number	MFCD09038211
Molecular Formula	C15H22N2O2
Molecular Weight	262.3474
SMILES	NCc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Synonyms	tert-butyl 6-(aminomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, 1196154-55-8, SCHEMBL166101, CTK8D3722, DTXSID20676963, GJXOYJWWLHSIRB-UHFFFAOYSA-N, KS-000019ZX, MFCD09038211, ZINC66331906, AKOS015897043, AB49526, AS-39549, TC-071984, CS-0038550, I08-0354, S14-1937, 1,1-dimethylethyl 6-aminomethyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate, tert-butyl 6-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate, 2(1H)-Isoquinolinecarboxylic acid, 6-(aminomethyl)-3,4-dihydro-, 1,1-dimethylethyl ester, 6-AMINOMETHYL-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.168g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.353g/mol
Monoisotopic Mass	262.168g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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