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tert-butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 57429706

In stock

Item Number

T176659

Grouped product items
SKU	Size	Availability	Price	Qty
T176659-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,285.90

Basic Description

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 \| MFCD18792095 \| 9-Oxo-3-aza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester \| SCHEMBL2919036 \| AKOS023412322
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Piperidinones Carbamate esters Tertiary amines Ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Piperidinone - Carbamic acid ester - Tertiary amine - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

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
InChIKey	DMVQSZMTYAHSEC-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CCCC(C1)C2=O

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	239.310 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	239.152 Da
Monoisotopic Mass	239.152 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	316.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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