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2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid - 97%, high purity , CAS No.1936695-68-9

COA

Grade & Purity:

≥97%

Cas Number: 1936695-68-9
Molecular Weight: 255.31
MDL number: MFCD28388972
PubChem CID: 121604261

In stock

Item Number

A631228

Grouped product items
SKU	Size	Availability	Price
A631228-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$224.90
A631228-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$359.90
A631228-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90
A631228-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,081.90

Basic Description

Synonyms	1936695-68-9 \| SY233938 \| 2-Boc-2-azabicyclo[2.2.2]octane-4-carboxylic acid \| MFCD28388972 \| 2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-4-carboxylic acid \| EN300-207766 \| 2-[(t-Butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid \| AS-54308
Specifications & Purity	≥97%
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	Heterocyclic fatty acids Branched fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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	2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid
INCHI	InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-13(10(15)16)6-4-9(14)5-7-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey	NYCIWWDVTWBDIL-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2(CCC1CC2)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2(CCC1CC2)C(=O)O
PubChem CID	121604261
Molecular Weight	255.31

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	255.310 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	255.147 Da
Monoisotopic Mass	255.147 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	364.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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