AG00ANHR

194222-05-4 | tert-Butyl 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

AG00ANHR

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CAS Number	194222-05-4
Catalog Number	AG00ANHR(AGN-PC-0QMP8C)
Chemical Name	tert-Butyl 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
IUPAC Name	tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI	InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?
InChI Key	SEGZJJSZYOEABC-ULKQDVFKSA-N
MDL Number	MFCD16294321
Molecular Formula	C12H21NO3
Molecular Weight	227.3000
SMILES	O=C(N1[C@@]2([H])C[C@@H](O)C[C@]1([H])CC2)OC(C)(C)C
Synonyms	tert-Butyl 3-endo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, 194222-05-4, 143557-91-9, N-Boc-Nortropine, endo-8-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane, (1R,3s,5S)-tert-Butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, 8-azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3-exo)-, tert-butyl (1R,3s,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, tert-Butyl 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, SCHEMBL219188, SCHEMBL641026, SCHEMBL1023170, DTXSID90457281, tert-butyl3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, MFCD09966165, MFCD16294321, MFCD22409620, ZINC12370855, (1R,3S,5S)-tert-butyl3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, AKOS016000328, AKOS016008920, AKOS025402026, Tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, ZINC100008099, ZINC100059798, AC-3288, CS-W019359, DS-6339, SB15694, SB20058, AJ-61889, AK113707, AS-53526, AB0068812, ST1080469, CS-0048100, Z4163, 3-exo-8-Boc-8-azabicyclo[3.2.1]octan-3-ol, 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, tert-butyl (1R,3r,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-,1,1-dimethylethyl ester, tert-Butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, AldrichCPR, C12H21NO3, CID11160507, endo-N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane, tert-butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, Endo-8-boc-3-hydroxy-8-azabicyclo[3.2.1]octane, 97% - 10G 10g, tert-butyl exo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, 478837-18-2,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	227.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.304g/mol
Monoisotopic Mass	227.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number