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2-(Piperazin-1-yl)-5-(trifluoromethyl)pyrimidine - ≥98%, high purity , CAS No.745066-18-6

COA

Grade & Purity:

≥98%

Cas Number: 745066-18-6
Molecular Weight: 232.21
PubChem CID: 16314797

In stock

Item Number

P728765

Grouped product items
SKU	Size	Availability	Price
P728765-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$311.90
P728765-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$626.90
P728765-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,238.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-arylpiperazines
Alternative Parents	Dialkylarylamines Aminopyrimidines and derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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-piperazin-1-yl-5-(trifluoromethyl)pyrimidine
INCHI	InChI=1S/C9H11F3N4/c10-9(11,12)7-5-14-8(15-6-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKey	AJPNCKCRSAVLLC-UHFFFAOYSA-N
Smiles	C1CN(CCN1)C2=NC=C(C=N2)C(F)(F)F
Isomeric SMILES	C1CN(CCN1)C2=NC=C(C=N2)C(F)(F)F
PubChem CID	16314797
Molecular Weight	232.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	232.210 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	232.094 Da
Monoisotopic Mass	232.094 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	219.000
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-(Piperazin-1-yl)-5-(trifluoromethyl)pyrimidine - ≥98%, high purity , CAS No.745066-18-6

Basic Description