AG0016KV

1220039-69-9 | 2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)

AG0016KV

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CAS Number	1220039-69-9
Catalog Number	AG0016KV(AGN-PC-0JJLXK)
Chemical Name	2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
IUPAC Name	tert-butyl 1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate;hydrochloride
InChI	InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-7-9-4-5-13-6-10(9)8-14;/h9-10,13H,4-8H2,1-3H3;1H
InChI Key	GCBPCLVBEAVQER-UHFFFAOYSA-N
MDL Number	MFCD15475010
Molecular Formula	C12H23ClN2O2
Molecular Weight	262.7762
SMILES	O=C(N1CC2CNCCC2C1)OC(C)(C)C.[H]Cl
Synonyms	1220039-69-9, 2-Boc-octahydro-1H-pyrrolo[3,4-c]pyridine Hydrochloride, tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate hydrochloride, tert-butyl 1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate;hydrochloride, Octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester hydrochloride, DTXSID60856828, KS-00000E9Y, 1581AJ, MFCD15475010, AKOS022173636, CS-W007279, NE64326, TRA-0176247, CS-11825, SY030977, AX8222690, FT-0712150, MFCD15475010 (95%), 2-Boc-octahydro-1H-pyrrolo[3,4-c]pyridine HCl, 2-Boc-octahydro-1H-pyrrolo[3,4-c]pyridineHydrochloride, tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate HCl, tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate hydrochloride, tert-butyl octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate hydrochloride, 2-Methyl-2-propanyl octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate hydrochloride (1:1), tert-Butyl octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate--hydrogen chloride (1/1), 2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), C12H22N2O2.HCl, 236406-56-7,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.145g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	262.778g/mol
Monoisotopic Mass	262.145g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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