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(4-(Piperazin-1-yl)phenyl)boronic acid - ≥98%, high purity , CAS No.513246-99-6

COA

Grade & Purity:

≥98%

Cas Number: 513246-99-6
Molecular Weight: 206.05
PubChem CID: 5233013

In stock

Item Number

P709524

Grouped product items
SKU	Size	Availability	Price
P709524-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$244.90
P709524-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$405.90
P709524-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,014.90
P709524-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,745.90

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	Phenylpiperazines
Alternative Parents	N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Boronic acids Organic metalloid salts Dialkylamines Azacyclic compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Boronic acid - Boronic acid derivative - Secondary amine - Secondary aliphatic amine - Organic metalloid salt - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - 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-piperazin-1-ylphenyl)boronic acid
INCHI	InChI=1S/C10H15BN2O2/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12,14-15H,5-8H2
InChIKey	WEKCEGUGFNLQIA-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)N2CCNCC2)(O)O
Isomeric SMILES	B(C1=CC=C(C=C1)N2CCNCC2)(O)O
PubChem CID	5233013
Molecular Weight	206.05

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.050 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	206.123 Da
Monoisotopic Mass	206.123 Da
Topological Polar Surface Area	55.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	190.000
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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