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4-(4-Acetylpiperazino)phenylboronic acid, pinacol ester - 96%, high purity , CAS No.1218791-38-8

COA

Grade & Purity:

≥96%

Cas Number: 1218791-38-8
Molecular Weight: 330.2
PubChem CID: 53217141

In stock

Item Number

A180395

Grouped product items
SKU	Size	Availability	Price
A180395-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
A180395-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$294.90
A180395-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,325.90

Discover 4-(4-Acetylpiperazino)phenylboronic acid, pinacol ester by Aladdin Scientific in 96% for only $95.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1218791-38-8 \| 4-(4-Acetyl-1-piperazinyl)phenylboronic Acid Pinacol Ester \| 4-(4-Acetylpiperazino)phenylboronic acid, pinacol ester \| 1-(4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazin-1-yl)ethanone \| 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxabor
Specifications & Purity	≥96%
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 Aniline and substituted anilines Dialkylarylamines Tertiary carboxylic acid amides Acetamides Dioxaborolanes Boronic acid esters Amino acids and derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organometalloid compounds Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Boronic acid derivative - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen 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	1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl]ethanone
INCHI	InChI=1S/C18H27BN2O3/c1-14(22)20-10-12-21(13-11-20)16-8-6-15(7-9-16)19-23-17(2,3)18(4,5)24-19/h6-9H,10-13H2,1-5H3
InChIKey	VRZVSHHLWMAHAZ-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C
Molecular Weight	330.2
Reaxy-Rn	21801432
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21801432&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	330.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	330.211 Da
Monoisotopic Mass	330.211 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	451.000
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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