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2-(piperidin-4-yl)acetonitrile hydrochloride - 97%, high purity , CAS No.153566-98-4

COA

Grade & Purity:

≥97%

Cas Number: 153566-98-4
Molecular Weight: 160.65
EC Number: 853-259-4
PubChem CID: 49759129

In stock

Item Number

A637681

Grouped product items
SKU	Size	Availability	Price	Qty
A637681-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$465.90

Basic Description

Synonyms	SCHEMBL1978311 \| Z1642389481 \| SB41119 \| AKOS015949475 \| 2-(piperidin-4-yl)acetonitrilehydrochloride \| 2-PIPERIDIN-4-YLACETONITRILE;HCL \| W-205746 \| A937351 \| 2-(Piperidin-4-yl)acetonitrile HCl \| FT-0684980 \| 4-Piperidineacetonitrile Hydrochloride \| DTXSI
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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Piperidines
Alternative Parents	Nitriles Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidine - Azacycle - Secondary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
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-piperidin-4-ylacetonitrile;hydrochloride
INCHI	InChI=1S/C7H12N2.ClH/c8-4-1-7-2-5-9-6-3-7;/h7,9H,1-3,5-6H2;1H
InChIKey	ZMGVIBYONJXGRF-UHFFFAOYSA-N
Smiles	C1CNCCC1CC#N.Cl
Isomeric SMILES	C1CNCCC1CC#N.Cl
Alternate CAS	153566-98-4
PubChem CID	49759129
Molecular Weight	160.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.640 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	160.077 Da
Monoisotopic Mass	160.077 Da
Topological Polar Surface Area	35.800 Å²
Heavy Atom Count	10
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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