AG002TGA

264916-06-5 | 2H-Isoindole-2-carboxylic acid, 5-amino-1,3-dihydro-, 1,1-dimethylethyl ester

AG002TGA

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CAS Number	264916-06-5
Catalog Number	AG002TGA(AGN-PC-03RQV3)
Chemical Name	2H-Isoindole-2-carboxylic acid, 5-amino-1,3-dihydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 5-amino-1,3-dihydroisoindole-2-carboxylate
InChI	InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h4-6H,7-8,14H2,1-3H3
InChI Key	WJFWIRWHYIDBAQ-UHFFFAOYSA-N
MDL Number	MFCD08234717
Molecular Formula	C13H18N2O2
Molecular Weight	234.2942
SMILES	O=C(N1CC2=C(C=C(N)C=C2)C1)OC(C)(C)C
Synonyms	Tert-butyl 5-aminoisoindoline-2-carboxylate, 264916-06-5, tert-butyl 5-amino-2,3-dihydro-1H-isoindole-2-carboxylate, 5-AMINO-1,3-DIHYDRO-ISOINDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, 2H-Isoindole-2-carboxylic acid, 5-amino-1,3-dihydro-, 1,1-dimethylethyl ester, TERT-BUTYL 5-AMINO-1,3-DIHYDRO-2H-ISOINDOLE-2-CARBOXYLATE, 5-AMINO-2-BOC-ISOINDOLINE, PubChem18077, Tert-butyl5-aminoisoindoline-2-carboxylate, 2-Boc-5-aminoisoindoline, 2-N-Boc-5-aminoisoindoline, 2-N-boc-5-amino-isoindoline, SCHEMBL520400, SCHEMBL2480343, CTK1A0591, DTXSID00626668, WJFWIRWHYIDBAQ-UHFFFAOYSA-N, KS-00000H4S, ANW-56477, MFCD08234717, SC1106, ZINC40448608, AKOS014514293, AC-7914, AN-8514, CB-1714, CS-W019616, PB29478, QC-5085, RP28127, SB10571, 5-amino-2-tert-butoxycarbonylisoindoline, 5-amino-2-tert-butoxycarbon-ylisoindoline, AK-29963, CJ-20173, DS-11619, SC-38498, AB0062244, AJ-102862, DB-008699, TC-145222, tert-Butyl-5-aminoisoindoline-2-carboxylate, 4CH-007720, AM20040053, FT-0647036, ST24031830, Z4521, Q-2600, I10-0628, J-524729, TERT-BUTYL 5-AMINOISOINDOLINE- 2-CARBOXYLATE, TERT-BUTYL 5-AMINO-1,3-DIHYDROISOINDOLE-2-CARBOXYLATE, N-Boc-5-aminoisoindoline, C13H18N2O2, C3053, A16040, 400727-63-1, 871013-98-8,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.137g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.299g/mol
Monoisotopic Mass	234.137g/mol
Rotatable Bond Count	2
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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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