AG000F4U

1147422-00-1 | 1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester

AG000F4U

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CAS Number	1147422-00-1
Catalog Number	AG000F4U(AGN-PC-0BUAC8)
Chemical Name	1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylate
InChI	InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-5-9-8-13-6-4-10(9)14/h9-10,13H,4-8H2,1-3H3
InChI Key	HMLJDLIVSQQLPO-UHFFFAOYSA-N
MDL Number	MFCD11877862
Molecular Formula	C12H22N2O2
Molecular Weight	226.3153
SMILES	CC(C)(C)OC(=O)N1CCC2CNCCC12
Synonyms	1147422-00-1, tert-Butyl octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, 1-BOC-1H-OCTAHYDROPYRROLO[3,2-C]PYRIDINE, OCTAHYDRO-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 1-BOC-OCTAHYDROPYRROLO[3,2-C]PYRIDINE, 848410-13-9, tert-butyl octahydropyrrolo[3,2-c]pyridine-1-carboxylate, SCHEMBL993785, HMLJDLIVSQQLPO-UHFFFAOYSA-N, KS-000006JJ, 2428AA, ANW-75221, MFCD11877862, AKOS005166977, PB13483, TRA0019559, 1-N-Boc-Octahydropyrrolo[3,2-c]pyridine, AK-56887, AS-42534, SC-22339, SC-45263, SY007469, AB0083402, TC-163966, CS-0036924, FT-0766114, EN300-90568, Q-2552, MFCD11877862 (95+%), 877O862, Octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid, tert-butyl octahydropyrrolo[3,2-c]pyridine-1-carbo, I14-20139, t-Butyl octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, Octahydropyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester, 1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, tert-butyl 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylate, C12H22N2O2, 1-Boc-1H-pyrrolo[3,2-c]pyridine, (3aR,7aS)-tert-butyl octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, (3aS,7aR)-tert-butyl octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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