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2-(3-Chlorophenyl)piperazine - 97%, high purity , CAS No.52385-79-2

COA

Grade & Purity:

≥97%

Cas Number: 52385-79-2
Molecular Weight: 196.68
PubChem CID: 5225638

In stock

Item Number

C193738

Grouped product items
SKU	Size	Availability	Price
C193738-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$102.90
C193738-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$341.90
C193738-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,538.90
C193738-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$6,923.90
C193738-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24,924.90

Basic Description

Synonyms	2-(3-chlorophenyl)piperazine \| 52385-79-2 \| SCHEMBL552077 \| 2-(3-chlorophenyl)-piperazine \| 2-(3-chloro-phenyl)-piperazine \| DTXSID40966797 \| XRVXSYWJPAAOBC-UHFFFAOYSA-N \| 1213098-22-6 \| 1213509-03-5 \| (2R)-2-(3-chlorophenyl)piperazine \| (2S)-2-(3-chlorophenyl)piperazine \| MFC
Specifications & Purity	≥97%
Shipped In	Normal

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	Phenylpiperazines
Alternative Parents	Chlorobenzenes Aralkylamines Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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-(3-chlorophenyl)piperazine
INCHI	InChI=1S/C10H13ClN2/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12-13H,4-5,7H2
InChIKey	XRVXSYWJPAAOBC-UHFFFAOYSA-N
Smiles	C1CNC(CN1)C2=CC(=CC=C2)Cl
Isomeric SMILES	C1CNC(CN1)C2=CC(=CC=C2)Cl
Molecular Weight	196.68
Reaxy-Rn	15429693
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15429693&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.670 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	196.077 Da
Monoisotopic Mass	196.077 Da
Topological Polar Surface Area	24.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	163.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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