AG004TZY

871013-98-8 | tert-Butyl 4-aminoisoindoline-2-carboxylate

AG004TZY

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CAS Number	871013-98-8
Catalog Number	AG004TZY(AGN-PC-0DACSZ)
Chemical Name	tert-Butyl 4-aminoisoindoline-2-carboxylate
IUPAC Name	tert-butyl 4-amino-1,3-dihydroisoindole-2-carboxylate
InChI	InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-7-9-5-4-6-11(14)10(9)8-15/h4-6H,7-8,14H2,1-3H3
InChI Key	PXJOFDSGLKGPGN-UHFFFAOYSA-N
MDL Number	MFCD10566550
Molecular Formula	C13H18N2O2
Molecular Weight	234.2942
SMILES	O=C(N1CC2=C(C(N)=CC=C2)C1)OC(C)(C)C
Synonyms	tert-butyl 4-aminoisoindoline-2-carboxylate, 871013-98-8, 4-Amino-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester, PubChem18078, SCHEMBL16268379, CTK8C4088, KS-00000QOC, DTXSID50733699, PXJOFDSGLKGPGN-UHFFFAOYSA-N, ANW-71035, MFCD10566550, SC1114, ZINC75629388, AKOS016008168, DS-4291, AK104746, AJ-121772, TC-159780, ST24050003, tert-butyl 4-amino-1,3-dihydroisoindole-2-carboxylate, Z2509351228, tert-Butyl 4-amino-1,3-dihydro-2H-isoindole-2-carboxylate, tert-butyl 4-amino-2,3-dihydro-1H-isoindole-2-carboxylate, tert-Butyl4-aminoisoindoline-2-carboxylate, Tert-butyl5-aminoisoindoline-2-carboxylate, Tert-butyl 5-aminoisoindoline-2-carboxylate,

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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