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4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid, HCl - 95%, high purity , CAS No.1305320-63-1

COA

Grade & Purity:

≥95%

Cas Number: 1305320-63-1
Molecular Weight: 475.5
PubChem CID: 71432808

In stock

Item Number

C181068

Grouped product items
SKU	Size	Availability	Price	Qty
C181068-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$254.90
C181068-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,146.90

Discover 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid, HCl by Aladdin Scientific in 95% for only $254.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1305320-63-1 \| 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochloride \| 4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid hydrochloride \| 4-[4-[[2-(4-Chloroph
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	N-arylpiperazines Aminobenzoic acids Benzoic acids Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organooxygen compounds Organochlorides Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Hydrochloride - Organic oxide - Organic nitrogen compound - Organohalogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxygen 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	4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid;hydrochloride
INCHI	InChI=1S/C26H31ClN2O2.ClH/c1-26(2)12-11-24(19-3-7-22(27)8-4-19)21(17-26)18-28-13-15-29(16-14-28)23-9-5-20(6-10-23)25(30)31;/h3-10H,11-18H2,1-2H3,(H,30,31);1H
InChIKey	KKJDHOMITBURAP-UHFFFAOYSA-N
Smiles	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)C.Cl
Isomeric SMILES	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)C.Cl
PubChem CID	71432808
Molecular Weight	475.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	475.400 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	474.184 Da
Monoisotopic Mass	474.184 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	652.000
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	2

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