AG003SW3

146747-65-1 | N-Cbz-9-Azabicyclo[3.3.1]nonan-3-one

AG003SW3

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CAS Number	146747-65-1
Catalog Number	AG003SW3(AGN-PC-00OQJW)
Chemical Name	N-Cbz-9-Azabicyclo[3.3.1]nonan-3-one
IUPAC Name	benzyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
InChI	InChI=1S/C16H19NO3/c18-15-9-13-7-4-8-14(10-15)17(13)16(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChI Key	PECCPMURUGQWAT-UHFFFAOYSA-N
MDL Number	MFCD22371802
Molecular Formula	C16H19NO3
Molecular Weight	273.3270
SMILES	O=C(N1C2CC(CC1CCC2)=O)OCC1=CC=CC=C1
Synonyms	N-CBZ-9-AZABICYCLO[3.3.1]NONAN-3-ONE, 146747-65-1, benzyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate, CTK4C5089, DTXSID40571002, 7253AJ, AKOS015903767, FCH2896889, TRA0029833, KS-00000E62, CS-11026, SC-24066, SY003187, AB1001543, AX8174075, DB-018495, TC-308693, FT-0744738, MFCD22371802 (97+%), I14-17665, null, C16H19NO3, PECCPMURUGQWAT-UHFFFAOYSA-N, 947-84-2,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.136g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.332g/mol
Monoisotopic Mass	273.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number