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2-(4-Chloromethyl-piperidin-1-yl)-pyrimidine - ≥97%, high purity , CAS No.111247-62-2

COA

Grade & Purity:

≥97%

Cas Number: 111247-62-2
Molecular Weight: 211.69
PubChem CID: 14554091

In stock

Item Number

P727992

Grouped product items
SKU	Size	Availability	Price	Qty
P727992-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,339.90

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	Aminopyrimidines and derivatives Piperidines Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - Aminopyrimidine - Pyrimidine - Piperidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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	2-[4-(chloromethyl)piperidin-1-yl]pyrimidine
INCHI	InChI=1S/C10H14ClN3/c11-8-9-2-6-14(7-3-9)10-12-4-1-5-13-10/h1,4-5,9H,2-3,6-8H2
InChIKey	XEOONRMTEFSPSW-UHFFFAOYSA-N
Smiles	C1CN(CCC1CCl)C2=NC=CC=N2
Isomeric SMILES	C1CN(CCC1CCl)C2=NC=CC=N2
PubChem CID	14554091
Molecular Weight	211.69

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.690 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	211.088 Da
Monoisotopic Mass	211.088 Da
Topological Polar Surface Area	29.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	163.000
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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2-(4-Chloromethyl-piperidin-1-yl)-pyrimidine - ≥97%, high purity , CAS No.111247-62-2

Basic Description