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4-(4-Hydroxy-piperidin-1-ylmethyl)-benzonitrile - ≥97%, high purity , CAS No.887593-88-6

COA

Grade & Purity:

≥97%

Cas Number: 887593-88-6
Molecular Weight: 216.28
PubChem CID: 11138517

In stock

Item Number

B725613

Grouped product items
SKU	Size	Availability	Price	Qty
B725613-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$229.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Benzylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzylpiperidines
Alternative Parents	Phenylmethylamines Benzylamines Benzonitriles Aralkylamines Trialkylamines Secondary alcohols Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylpiperidine - Benzonitrile - Benzylamine - Phenylmethylamine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Cyanide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
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-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile
INCHI	InChI=1S/C13H16N2O/c14-9-11-1-3-12(4-2-11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-8,10H2
InChIKey	NYAOZPISCGYEAV-UHFFFAOYSA-N
Smiles	C1CN(CCC1O)CC2=CC=C(C=C2)C#N
Isomeric SMILES	C1CN(CCC1O)CC2=CC=C(C=C2)C#N
PubChem CID	11138517
Molecular Weight	216.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	216.280 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	216.126 Da
Monoisotopic Mass	216.126 Da
Topological Polar Surface Area	47.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	254.000
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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4-(4-Hydroxy-piperidin-1-ylmethyl)-benzonitrile - ≥97%, high purity , CAS No.887593-88-6

Basic Description