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2-[4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl]ethanol - ≥98%, high purity , CAS No.109806-71-5

COA

Grade & Purity:

≥98%

Cas Number: 109806-71-5
EC Number: 600-928-1
PubChem CID: 3419898

In stock

Item Number

P708681

Grouped product items
SKU	Size	Availability	Price	Qty
P708681-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,199.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	N-alkylpiperazines Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Alkanolamine - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Alcohol - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol
INCHI	InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2
InChIKey	ZJQSBXXYLQGZBR-UHFFFAOYSA-N
Smiles	C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Isomeric SMILES	C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Alternate CAS	109806-71-5
PubChem CID	3419898

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	330.800 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	330.15 Da
Monoisotopic Mass	330.15 Da
Topological Polar Surface Area	26.700 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	332.000
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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