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1-Octylpyridin-1-ium chloride - ≥97%, high purity , CAS No.4086-73-1

COA

Grade & Purity:

≥97%

Cas Number: 4086-73-1
Molecular Weight: 227.77
PubChem CID: 77708

In stock

Item Number

O694597

Grouped product items
SKU	Size	Availability	Price
O694597-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
O694597-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$81.90
O694597-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$256.90
O694597-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,199.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinium derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinium derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinium derivatives
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-octylpyridin-1-ium;chloride
INCHI	InChI=1S/C13H22N.ClH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1
InChIKey	OVIYAWWBKPWUOH-UHFFFAOYSA-M
Smiles	CCCCCCCC[N+]1=CC=CC=C1.[Cl-]
Isomeric SMILES	CCCCCCCC[N+]1=CC=CC=C1.[Cl-]
PubChem CID	77708
Molecular Weight	227.77

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.770 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	227.144 Da
Monoisotopic Mass	227.144 Da
Topological Polar Surface Area	3.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	116.000
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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