AG001RHP

159877-36-8 | 1H-Pyrrolo[3,4-b]pyridine-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester

AG001RHP

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CAS Number	159877-36-8
Catalog Number	AG001RHP(AGN-PC-03TABJ)
Chemical Name	1H-Pyrrolo[3,4-b]pyridine-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester
EC Number	605-192-5
IUPAC Name	tert-butyl 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
InChI	InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14/h9-10,13H,4-8H2,1-3H3
InChI Key	LGEWGFOMLJQHLL-UHFFFAOYSA-N
MDL Number	MFCD06858490
Molecular Formula	C12H22N2O2
Molecular Weight	226.3153
SMILES	C(=O)(OC(C)(C)C)N1C2C(CNC2)CCC1
Synonyms	159877-36-8, 1-Boc-octahydropyrrolo[3,4-b]pyridine, 1-Boc-octahydro-pyrrolo[3,4-b]pyridine, tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate, tert-butyl octahydropyrrolo[3,4-b]pyridine-1-carboxylate, tert-butyl 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate, 1-Boc-octahydro-pyrrolo3,4-bpyridine, ACMC-209dka, AC1Q1N4J, CS-WAA0096, SCHEMBL2095212, OCTAHYDRO-PYRROLO[3,4-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, CTK4D0248, DTXSID00626486, LGEWGFOMLJQHLL-UHFFFAOYSA-N, tert-butyl (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate, 181141-40-2, ANW-21848, MFCD06858490, AKOS015841655, AB30515, AC-7313, AN-9127, CB-3566, CS-W003362, TRA0039993, VP13492, AC-30563, AK-24083, AM807558, AS-36757, BR-24083, SC-23399, SY005695, AB0022578, AB1000547, DB-018093, ST2415193, TX-011540, 4CH-014499, FT-0646937, W3472, EN300-50912, B64519, S-4995, MFCD06858490 (95+%), 1-t-Butoxycarbonyloctahydropyrrolo[3.4-b]pyridine, 877B368, 1-boc-octahydro-pyrrolo[3,4-b]pyridine, AldrichCPR, S14-0882, tert-Butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate, 2-tertiary butoxycarbonyl-2,8-diazabicyclo[4.3.0]nonane, t-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate, tert-Butyl octahydro-1H-pyrrolo[3,4-b]pyridin-1-carboxylate, Octahydropyrrolo[3,?4-?b]?pyridine-?1-?carboxylic acid tert-?butyl ester, tert-?Butyl octahydro-?1H-?pyrrolo[3,?4-?b]?pyridine-?1-?carboxylate, 1H-PYRROLO[3,4-B]PYRIDINE-1-CARBOXYLIC ACID, OCTAHYDRO-, 1,1-DIMETHYLETHYL ESTER, 1H-Pyrrolo[3,4-b]pyridine-1-carboxylicacid, octahydro-, 1,1-dimethylethyl ester, null, C12H22N2O2, A3533, 159991-07-8, (4aS,7aS)-tert-Butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate, tert-butyl (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate, 186201-89-8,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.168g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.32g/mol
Monoisotopic Mass	226.168g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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

Lot Number