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1-(6-Chloro-pyrimidin-4-yl)-piperidin-4-ol - ≥97%, high purity , CAS No.914347-85-6

COA

Grade & Purity:

≥97%

Cas Number: 914347-85-6
Molecular Weight: 213.66
PubChem CID: 22309477

In stock

Item Number

P730619

Grouped product items
SKU	Size	Availability	Price	Qty
P730619-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,716.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Dialkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Dialkylarylamines
Alternative Parents	Halopyrimidines Aminopyrimidines and derivatives Piperidines Imidolactams Aryl chlorides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Piperidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Azacycle - Alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Names and Identifiers

IUPAC Name	1-(6-chloropyrimidin-4-yl)piperidin-4-ol
INCHI	InChI=1S/C9H12ClN3O/c10-8-5-9(12-6-11-8)13-3-1-7(14)2-4-13/h5-7,14H,1-4H2
InChIKey	WQFYOBVOGNPDNN-UHFFFAOYSA-N
Smiles	C1CN(CCC1O)C2=CC(=NC=N2)Cl
Isomeric SMILES	C1CN(CCC1O)C2=CC(=NC=N2)Cl
PubChem CID	22309477
Molecular Weight	213.66

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.660 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	213.067 Da
Monoisotopic Mass	213.067 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	185.000
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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