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2-azabicyclo[2.2.2]octane-4-carboxylic acid;hydrochloride - 97%, high purity , CAS No.1394042-79-5

COA

Grade & Purity:

≥97%

Cas Number: 1394042-79-5
EC Number: 863-385-1
PubChem CID: 71756357

In stock

Item Number

A628882

Grouped product items
SKU	Size	Availability	Price
A628882-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$363.90
A628882-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
A628882-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$969.90
A628882-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,747.90

Basic Description

Synonyms	2-azabicyclo[2.2.2]octane-4-carboxylicacidhydrochloride \| 2-azabicyclo[2.2.2]octane-4-carboxylic acid HCl \| 1394042-79-5 \| 2-azabicyclo[2.2.2]octane-4-carboxylic acid hydrochloride \| P18589 \| SB40944 \| SCHEMBL21615847 \| AKOS026741986 \| MFCD22378700 \| SY14
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - 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-azabicyclo[2.2.2]octane-4-carboxylic acid;hydrochloride
INCHI	InChI=1S/C8H13NO2.ClH/c10-7(11)8-3-1-6(2-4-8)9-5-8;/h6,9H,1-5H2,(H,10,11);1H
InChIKey	FIJJOQJMVNDCSN-UHFFFAOYSA-N
Smiles	C1CC2(CCC1NC2)C(=O)O.Cl
Isomeric SMILES	C1CC2(CCC1NC2)C(=O)O.Cl
Alternate CAS	1394042-79-5
PubChem CID	71756357

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.650 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	191.071 Da
Monoisotopic Mass	191.071 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183.000
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	2

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