Cas no 106261-49-8 (4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride)

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride is a derivative of benzoic acid, bearing a unique structure that combines the properties of both its constituents. This compound has been found to possess high affinity for certain biological targets, making it a valuable tool in various biochemical assays and research applications requiring precise control over chemical interactions.
4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride structure
106261-49-8 structure
Product Name:4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
CAS No:106261-49-8
MF:C13H20Cl2N2O2
MW:307.216101646423
MDL:MFCD07772867
CID:62603
PubChem ID:125307738
Update Time:2025-11-10

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
    • 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride 0.5 hydrate
    • 4-[(4-METHYL-1-PIPERAZINYL)METHYL]BENZOIC ACID DIHYDROCHLORIDE HEMIHYDRATE
    • 4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride
    • 4-[(4-Methyl-1-piperaziny)methyl]benzoic acid
    • 4-[(4-methyl-1-piperizino) methyl]benzoic acid dihydrochloride hemihydrate
    • benzoic acid dihydrochloride
    • 4-((4-Methylpiperazin-1-yl)methyl)benzoic acid dihydrochloride
    • 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZOIC ACID DIHYROCHLORIDE HEMIHYDRATE
    • 4-(4-Methylpiperazinomethyl)benzoic Acid Dihydrochloride
    • 4-[(4-Methylpiperazin-1-yl)methyl]-benzoic acid dihydrochloride
    • 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride hemihydrate
    • Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, hydrochloride (1:2)
    • Benzoicacid, 4-[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride (9CI)
    • IMatinib Carboxylic IMpurity
    • IMatinib Mesylate InterMediate
    • 4-(4-Methyl Piperazino Methyl) Benzoic Acid 2HCl
    • 4-[(4-methyl-1-piperazinyl)methyl]-, hydrochloride (1:2)
    • 4-(4-Methyl-piperazin-1-ylMethyl)-benzoic acid hydrochloride
    • 4-[(4-Methylpiperazin-1-yl)Methyl]benzoic acid dihydrochlorid
    • 4-〔 (4Methylpiperazin-l-yl)Methyl〕benzoic acid dihydrochloride
    • Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride
    • zlchem 396
    • 4-[(4-Methylpiperazin-1-yl)methyl]
    • KSC909C2H
    • C13H18N2O2.2ClH
    • ZLC0244
    • ISHROKOWRJDOSN-UHFFFAOYSA-N
    • 4-[(4-Methyl-1-piperazinyl)methyl]benzoicacid dihydrochloride
    • 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride
    • 4-(4-Methyl-piperazin-1-ylmethyl)-benzoic acid dihydrochloride
    • 4-(4-Methylpiperazinomethyl)benzoic Acid, Dihydrochloride
    • 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid hydrate dihydrochloride
    • MFCD07772867
    • 4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Hydrochloride (1:2); Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride (9CI); 4-(4-Methylpiperazinomethyl)benzoic acid dihydrochloride; 4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride; 4-[(4-Methylpiperazinyl)methyl]benzoic acid dihydrochloride
    • EN300-43900
    • CS-W012082
    • 4-(4-methylpiperazin-1-ylmethyl)benzoic acid dihydrochloride
    • FT-0650480
    • 112GI009
    • 4-(4-methyl-piperazinomethyl)benzoic acid dihydrochloride
    • AKOS008030888
    • 4-(4-methylpiperzin-1-ylmethyl)benzoic acid dihydrochloride
    • AC-2149
    • 4-[(4-methyl-1-piperazinyl)-methyl]-benzoic acid dihydrochloride
    • 106261-49-8
    • GS-4344
    • 4-((4-methyl-1-piperaziny)methyl)benzoic acid 2hcl
    • EC 600-728-4
    • SB14847
    • 4-[(4-methylpiperazin-1-yl)methyl]benzoicAcidDihydrochloride
    • BENZOIC ACID, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-, HYDROCHLORIDE (1:2)
    • 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOIC ACID 2HCL
    • AM20061169
    • 4-((4-Methyl-1-piperazinyl)methyl)benzoic acid dihydrochloride
    • BENZOIC ACID, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-, DIHYDROCHLORIDE
    • 4-(4-methylpiperazin-1-ylmethyl) benzoic acid dihydrochloride
    • 4-((4-Methyl-1-piperazinyl)methyl)-benzoic acid dihydrochloride
    • 4-((4-METHYLPIPERAZINYL)METHYL)BENZOIC ACID DIHYDROCHLORIDE
    • UNII-DJ6E7RG2D9
    • SCHEMBL846616
    • Z449369170
    • A801404
    • M2110
    • DTXSID00438349
    • dihydrochloride 4-(4-methyl-piperazin-1-ylmethyl)-benzoic acid
    • DJ6E7RG2D9
    • AC-6913
    • SY007706
    • 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid DiHCl
    • DB-011262
    • FM25932
    • 600-728-4
    • DTXCID10389171
    • MDL: MFCD07772867
    • Inchi: 1S/C13H18N2O2.2ClH/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);2*1H
    • InChI Key: ISHROKOWRJDOSN-UHFFFAOYSA-N
    • SMILES: Cl.Cl.OC(C1C=CC(=CC=1)CN1CCN(C)CC1)=O

Computed Properties

  • Exact Mass: 324.10100
  • Monoisotopic Mass: 306.0901833g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 254
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.8

Experimental Properties

  • Color/Form: Powder
  • Density: 1.345
  • Melting Point: 305-307 oC
  • Boiling Point: 495.6°Cat760mmHg
  • Flash Point: 253.5℃
  • Refractive Index: 1.675
  • PSA: 53.01000
  • LogP: 2.54770

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Security Information

  • Hazard Category Code: R22;R36/37/38
  • Safety Instruction: S22-S26-S36/37/39
  • Hazardous Material Identification: Xn
  • Safety Term:S22;S26;S36/37/39
  • Risk Phrases:R22; R36/37/38

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Pricemore >>

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4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:106261-49-8)伊馬酸
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Purity:99%
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Suzhou Senfeida Chemical Co., Ltd
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(CAS:106261-49-8)4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
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Amadis Chemical Company Limited
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(CAS:106261-49-8)4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride
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Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:37
Price ($):1262.0/316.0

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Spectrogram

1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Related Literature

Additional information on 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride

Professional Introduction to 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride (CAS No. 106261-49-8)

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride, with the CAS number 106261-49-8, is a significant compound in the field of pharmaceutical chemistry and biochemistry. This compound belongs to the class of substituted benzoic acids, characterized by the presence of a piperazine moiety linked to a benzene ring. The dihydrochloride salt form enhances its solubility and stability, making it a valuable intermediate in the synthesis of various pharmacologically active molecules.

The< strong>4-Methylpiperazin-1-yl group is a crucial structural feature that imparts unique chemical and biological properties to this compound. Piperazine derivatives are widely recognized for their role as pharmacophores in drug design, particularly in the development of central nervous system (CNS) drugs, antihistamines, and antipsychotics. The methyl substitution at the 4-position of the piperazine ring influences its pharmacokinetic behavior, enhancing metabolic stability and reducing potential side effects associated with unsubstituted piperazine derivatives.

In recent years, there has been growing interest in the development of novel therapeutic agents targeting neurological disorders. The< strong>benzoic acid moiety in 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride contributes to its potential as a scaffold for designing molecules with enhanced binding affinity and selectivity. Benzoic acid derivatives have been extensively studied for their anti-inflammatory, analgesic, and antioxidant properties, making this compound a promising candidate for further exploration in drug discovery.

One of the most compelling aspects of this compound is its versatility in medicinal chemistry. The presence of both the piperazine and benzoic acid moieties allows for diverse structural modifications, enabling researchers to fine-tune its pharmacological profile. For instance, modifications at the aromatic ring or the piperazine nitrogen can significantly alter its interaction with biological targets, leading to improved efficacy and reduced toxicity.

Recent studies have highlighted the potential of< strong>4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride as a lead compound for the development of new therapeutic agents. Researchers have demonstrated its efficacy in preclinical models for conditions such as depression, anxiety, and chronic pain. The compound's ability to modulate neurotransmitter systems, particularly serotonin and dopamine pathways, makes it a valuable tool for investigating the mechanisms underlying these disorders.

The synthesis of< strong>4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride involves multi-step organic reactions that require precise control over reaction conditions. The introduction of the piperazine group necessitates careful consideration of reaction pathways to ensure high yield and purity. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making this compound more accessible for industrial applications.

In addition to its pharmaceutical applications, this compound has shown promise in other areas of research. Its unique chemical structure makes it a useful tool for studying enzyme inhibition and receptor binding interactions. By employing techniques such as nuclear magnetic resonance (NMR) spectroscopy and X-ray crystallography, scientists can gain insights into how< strong>4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride interacts with biological targets at a molecular level.

The< strong>CAS No. 106261-49-8 provides a unique identifier for this compound, ensuring accurate documentation and classification in scientific literature and regulatory databases. This standardized naming system facilitates communication among researchers and regulatory agencies, promoting consistency and clarity in reporting experimental results and safety data.

The future prospects for< strong>4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride are promising, with ongoing research aimed at expanding its therapeutic applications. Collaborative efforts between academic institutions and pharmaceutical companies are expected to yield novel derivatives with improved pharmacological properties. Additionally, computational modeling techniques can aid in predicting the behavior of new analogs before they are synthesized experimentally.

In conclusion, 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride (CAS No. 106261-49-8) is a versatile compound with significant potential in pharmaceutical research and development. Its unique structural features make it an attractive scaffold for designing molecules with targeted therapeutic effects. As our understanding of biological systems continues to evolve, compounds like this will play an increasingly important role in addressing complex diseases and improving patient outcomes.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:106261-49-8)伊馬酸
LE2474839
Purity:99%
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Suzhou Senfeida Chemical Co., Ltd
(CAS:106261-49-8)4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
sfd16518
Purity:99.9%
Quantity:200kg
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