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4-((4-Methylpiperazin-1-yl)methyl)benzoic acid - 98%, high purity , CAS No.106261-48-7

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 106261-48-7
Molecular Weight: 234.29
PubChem CID: 4769782
PubChem SID: 504763127

In stock

Item Number

M189546

Grouped product items
SKU	Size	Availability	Price
M189546-250mg	250mg	3	$42.90
M189546-1g	1g	3	$124.90
M189546-5g	5g	3	$560.90
M189546-25g	25g	2	$2,520.90

Basic Description

Synonyms	106261-48-7 \| 4-(4-Methylpiperazin-1-ylmethyl)benzoic Acid \| 4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID \| 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid \| 4-(4-Methyl-1-piperazinylmethyl)benzoic Acid \| 4-(4-methylpiperazinomethyl)benzoic acid \| MFCD01632530 \| M4XAX
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Phenylmethylamines Benzylamines Benzoyl derivatives N-methylpiperazines Aralkylamines Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Benzylamine - Phenylmethylamine - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

Pubchem Sid	504763127
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763127
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
INCHI	InChI=1S/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)
InChIKey	ZJUXJQSYXBYFFO-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
Isomeric SMILES	CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
Molecular Weight	234.29
Reaxy-Rn	8489752
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8489752&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
K2422112	Certificate of Analysis	Nov 29, 2024	M189546
I2103088	Certificate of Analysis	Jun 19, 2024	M189546
E2015037	Certificate of Analysis	Mar 08, 2023	M189546
J2228353	Certificate of Analysis	Sep 27, 2022	M189546
J2228358	Certificate of Analysis	Sep 27, 2022	M189546
K2429007	Certificate of Analysis	Sep 27, 2022	M189546
J2228355	Certificate of Analysis	Sep 27, 2022	M189546
J2228357	Certificate of Analysis	Sep 27, 2022	M189546

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Molecular Weight	234.290 g/mol
XLogP3	-1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	234.137 Da
Monoisotopic Mass	234.137 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	254.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xiaoqian Jiang, Aihua Qu, Xinxin Xu, Hua Kuang, Liqiang Liu, Chuanlai Xu. (2024) Ultrasensitive detection of imatinib in human serum using a gold-based paper sensor. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 1234 (124001).

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