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4-Oxopiperidine-3-carbonitrile hydrochloride - ≥97%, high purity , CAS No.1373253-28-1

COA

Grade & Purity:

≥97%

Cas Number: 1373253-28-1
Molecular Weight: 160.6
PubChem CID: 56965777

In stock

Item Number

O734052

Grouped product items
SKU	Size	Availability	Price	Qty
O734052-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
O734052-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$165.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinones
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinones
Alternative Parents	Cyclic ketones Nitriles Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinone - Ketone - Cyclic ketone - Azacycle - Secondary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Organic oxide - Hydrocarbon derivative - Hydrochloride - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
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	4-oxopiperidine-3-carbonitrile;hydrochloride
INCHI	InChI=1S/C6H8N2O.ClH/c7-3-5-4-8-2-1-6(5)9;/h5,8H,1-2,4H2;1H
InChIKey	FVYQXGXHUIVIRE-UHFFFAOYSA-N
Smiles	C1CNCC(C1=O)C#N.Cl
Isomeric SMILES	C1CNCC(C1=O)C#N.Cl
PubChem CID	56965777
Molecular Weight	160.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.600 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	160.04 Da
Monoisotopic Mass	160.04 Da
Topological Polar Surface Area	52.900 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	167.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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