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2-Cyano-N-(pyridin-3-yl)acetamide - ≥95%, high purity , CAS No.219618-13-0

COA

Grade & Purity:

≥95%

Cas Number: 219618-13-0
Molecular Weight: 161.2
PubChem CID: 564981

In stock

Item Number

C698082

Grouped product items
SKU	Size	Availability	Price
C698082-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
C698082-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
C698082-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$554.90
C698082-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,790.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass N-arylamides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	N-arylamides
Intermediate Tree Nodes	Not available
Direct Parent	N-arylamides
Alternative Parents	Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-arylamide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl 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

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	2-cyano-N-pyridin-3-ylacetamide
INCHI	InChI=1S/C8H7N3O/c9-4-3-8(12)11-7-2-1-5-10-6-7/h1-2,5-6H,3H2,(H,11,12)
InChIKey	QLZYGZVAUQLYOD-UHFFFAOYSA-N
Smiles	C1=CC(=CN=C1)NC(=O)CC#N
Isomeric SMILES	C1=CC(=CN=C1)NC(=O)CC#N
PubChem CID	564981
Molecular Weight	161.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	161.160 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	161.059 Da
Monoisotopic Mass	161.059 Da
Topological Polar Surface Area	65.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	206.000
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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