AG003SU3

185099-67-6 | tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

AG003SU3

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CAS Number	185099-67-6
Catalog Number	AG003SU3(AGN-PC-0QDZRI)
Chemical Name	tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
IUPAC Name	tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI	InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-9H,4-7H2,1-3H3
InChI Key	MENILFUADYEXNU-UHFFFAOYSA-N
MDL Number	MFCD00673779
Molecular Formula	C12H19NO3
Molecular Weight	225.2842
SMILES	O=C(N1C2CC(CC1CC2)=O)OC(C)(C)C
Synonyms	185099-67-6, tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate, N-Boc-4-Nortropinone, N-(tert-Butoxycarbonyl)nortropinone, 8-Boc-8-azabicyclo[3.2.1]octan-3-one, 3-Oxo-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, N-Boc-Nortropinone, 97%, Boc-nortropinone, t-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate, 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, CB-3051, N-Boc-nororopinone, AC1MDRUN, AC1Q1MWE, SCHEMBL413300, CTK7H3119, DTXSID30383393, MENILFUADYEXNU-UHFFFAOYSA-N, ACT02723, EBD18357, KS-000002VF, AKOS004910704, AC-4223, AN-4510, CS-W001484, MCULE-3419565934, PS-3552, RP07568, AK-39358, BC679107, BR-39358, SC-22938, SY004645, AB0068857, AB1000167, AM20090080, B3401, FT-0600825, EN300-52945, MFCD00673779 (98%), B35300, A812919, I14-0393, W-206330, 8-tert-butoxycarbonyl-8-azabicyclo[3.2.1]octan-3-one;, F0001-0668, Z1258578345, N-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]octan-3-one, tert-butyl 3-oxo-8-aza-bicyclo[3.2.1]octan-8-carboxylate, tert-Butyl 3-oxo-8-azabicyclo[3.2.1]octan-8-carboxylate, tert-Butyl 3-oxo-8-azaicyclo[3.2.1]octane-8-carboxylate, tert-Butyl 8-aza-3-oxobicyclo[3.2.1]octane-8-carboxylate, tert-butyl 3-oxo-8-aza-bicyclo[3.2.1]octane-8-carboxylate, tert-butyl 3-oxidanylidene-8-azabicyclo[3.2.1]octane-8-carboxylate, 3-oxo-8-aza-bicyclo[3.2.1]-octane-8-carboxylic acid tert-butyl ester, 3-Oxo-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid, tert-butyl ester, N-Boc-nortropinone, MFCD00673779, ZINC00057561, N-Boc-nortropinone, 97% - 1G 1g, ACN-039420, CID2794767, tert-Butyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.136g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.288g/mol
Monoisotopic Mass	225.136g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number