AG00DLBF

512822-34-3 | tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

AG00DLBF

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CAS Number	512822-34-3
Catalog Number	AG00DLBF(AGN-PC-0SA7A1)
Chemical Name	tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
IUPAC Name	tert-butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
InChI	InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-10(8-14)11(9)15/h9-10H,4-8H2,1-3H3
InChI Key	DMVQSZMTYAHSEC-UHFFFAOYSA-N
MDL Number	MFCD18792095
Molecular Formula	C13H21NO3
Molecular Weight	239.3107
SMILES	O=C(N1CC(C2=O)CCCC2C1)OC(C)(C)C
Synonyms	512822-34-3, tert-butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate, 3-azabicyclo[3.3.1]nonane-3-carboxylic acid, 9-oxo-, 1,1-dimethylethyl ester, SCHEMBL2919036, ALBB-031162, MFCD18792095, AKOS023412322, SB13006, AM805694, AS-52574, 3-Boc-3-azabicyclo[3.3.1]nonane-9-one, CS-0036522, 3-t-butoxycarbonyl-3-azabicyclo[3.3.1]nonan-9-one, 9-Oxo-3-aza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester, 9-Oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid 1,1-dimethylethyl ester,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.152g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.315g/mol
Monoisotopic Mass	239.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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