AG003SW8

109840-91-7 | endo-Benzyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

AG003SW8

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CAS Number	109840-91-7
Catalog Number	AG003SW8(AGN-PC-0OZWXQ)
Chemical Name	endo-Benzyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
IUPAC Name	benzyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI	InChI=1S/C15H19NO3/c17-14-8-12-6-7-13(9-14)16(12)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2/t12-,13+,14?
InChI Key	AXRYOOOSGBBQPJ-PBWFPOADSA-N
MDL Number	MFCD09991642
Molecular Formula	C15H19NO3
Molecular Weight	261.3163
SMILES	O=C(N1[C@H]2C[C@@H](C[C@@H]1CC2)O)OCC3=CC=CC=C3
Synonyms	N-CBZ-NORTROPINE, 109840-91-7, endo-Benzyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, N-Benzyloxycarbonyl Nortropine, MFCD09991642, ZINC16697410, AKOS027253540, ZINC100006775, ZINC263588967, AJ-69334, AS-37171, CS-0078623, X-3845, Z-3853, 92652-76-1, 3-exo-benzyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, 3-HYDROXY-8-AZA-BICYCLO[3.2.1]OCTANE-8-CARBOXYLIC ACID BENZYL ESTER, 96951-89-2,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	261.136g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.321g/mol
Monoisotopic Mass	261.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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