Cas no 15535-95-2 (4-Carbamimidoylbenzoic acid)

4-Carbamimidoylbenzoic acid structure
4-Carbamimidoylbenzoic acid structure
Product Name:4-Carbamimidoylbenzoic acid
CAS No:15535-95-2
MF:C8H8N2O2
MW:164.161321640015
MDL:MFCD00269643
CID:121042
PubChem ID:3532623
Update Time:2025-10-29

4-Carbamimidoylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Carbamimidoylbenzoic acid
    • 4-AMIDINOBENZOIC ACID
    • 4-carbamimidoyl-benzoic acid
    • Benzoic acid,4-(aminoiminomethyl)-
    • 4-(aminoiminomethyl)-benzoic acid
    • 4-Carbamimidoyl-benzoesaeure
    • p-amidinobenzoic acid
    • SCHEMBL3876947
    • CS-0312092
    • A921701
    • DTXSID60962716
    • AKOS006283465
    • OPMDVIDBSGETBB-UHFFFAOYSA-N
    • 15535-95-2
    • Q27456222
    • FT-0724807
    • CHEMBL178387
    • 4-carbamimidoylbenzoicAcid
    • EN300-218395
    • MDL: MFCD00269643
    • Inchi: 1S/C8H8N2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)
    • InChI Key: OPMDVIDBSGETBB-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(C(=N)N)=CC=1)=O

Computed Properties

  • Exact Mass: 164.05900
  • Monoisotopic Mass: 164.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 87.2?2

Experimental Properties

  • Boiling Point: 340.9±44.0°C at 760 mmHg
  • PSA: 87.17000
  • LogP: 1.46890

4-Carbamimidoylbenzoic acid Security Information

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4-Carbamimidoylbenzoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:15535-95-2)4-Carbamimidoylbenzoic acid
Order Number:A921701
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 13:18
Price ($):286.0

Additional information on 4-Carbamimidoylbenzoic acid

4-Carbamimidoylbenzoic Acid (CAS No. 15535-95-2): Properties, Applications, and Market Insights

4-Carbamimidoylbenzoic acid (CAS No. 15535-95-2) is a specialized organic compound with significant potential in pharmaceutical and biochemical research. This white to off-white crystalline powder belongs to the class of benzoic acid derivatives, featuring a carbamimidoyl functional group at the para position. Its molecular formula is C8H8N2O2, with a molecular weight of 164.16 g/mol. The compound's unique structure makes it valuable for various synthetic applications, particularly in drug discovery and development.

The growing interest in 4-Carbamimidoylbenzoic acid derivatives stems from their role as intermediates in medicinal chemistry. Researchers frequently search for "4-Carbamimidoylbenzoic acid synthesis" and "benzoic acid derivatives in drug design," reflecting the compound's relevance in current pharmaceutical trends. Its structural features allow for diverse modifications, making it a versatile building block for creating novel therapeutic agents targeting metabolic disorders and inflammatory conditions.

From a chemical perspective, 4-Carbamimidoylbenzoic acid demonstrates interesting properties. The compound typically melts between 220-225°C and shows limited solubility in water but better solubility in polar organic solvents like dimethyl sulfoxide (DMSO) or dimethylformamide (DMF). These characteristics are crucial for researchers investigating "solubility of benzoic acid derivatives" or "handling carbamimidoyl compounds." The presence of both carboxylic acid and carbamimidoyl groups provides two distinct reactive sites for chemical transformations.

In pharmaceutical applications, 4-Carbamimidoylbenzoic acid serves as a key intermediate for developing enzyme inhibitors. Recent publications highlight its use in creating compounds that modulate arginase activity, addressing questions like "how does 4-Carbamimidoylbenzoic acid affect enzyme function?" This connection to enzyme inhibition research aligns with current interests in targeted therapies for cardiovascular and immune-related conditions.

The analytical characterization of 4-Carbamimidoylbenzoic acid typically involves techniques such as HPLC, NMR spectroscopy, and mass spectrometry. Quality control specifications for research-grade material usually require ≥95% purity, with common impurities being starting materials from its synthesis. These analytical parameters respond to frequent searches about "purity standards for research chemicals" and "analytical methods for benzoic acid derivatives."

Market trends indicate growing demand for 4-Carbamimidoylbenzoic acid in the pharmaceutical and biotechnology sectors. Suppliers often receive inquiries about "bulk 4-Carbamimidoylbenzoic acid suppliers" and "custom synthesis of benzoic acid derivatives." The compound's price varies based on purity grade and quantity, with research-scale quantities typically ranging from $50-$200 per gram. Current Good Manufacturing Practice (cGMP) compliant material commands premium pricing for clinical research applications.

Storage and handling recommendations for 4-Carbamimidoylbenzoic acid include keeping the compound in a cool, dry place away from direct sunlight. While not classified as hazardous under standard conditions, proper laboratory practices should be followed, including the use of personal protective equipment. These precautions address common safety-related searches such as "storage conditions for carbamimidoyl compounds" and "benzoic acid derivative safety data."

Recent scientific literature reveals innovative applications of 4-Carbamimidoylbenzoic acid in materials science. Researchers are exploring its incorporation into metal-organic frameworks (MOFs) and coordination polymers, responding to growing interest in "organic linkers for MOF synthesis." The compound's rigid aromatic core and multiple coordination sites make it attractive for designing porous materials with potential applications in gas storage and separation technologies.

Quality assurance for 4-Carbamimidoylbenzoic acid involves rigorous testing protocols. Reputable suppliers provide certificates of analysis including information on identity (by FTIR or NMR), purity (by HPLC), and residual solvent content. These quality measures answer frequent customer questions about "how to verify benzoic acid derivative purity" and "analytical certificates for research chemicals." Independent verification through third-party testing is recommended for critical applications.

The future outlook for 4-Carbamimidoylbenzoic acid appears promising, particularly in personalized medicine approaches. Its structural versatility positions it well for emerging trends in "fragment-based drug discovery" and "small molecule probes for biological systems." As research into targeted therapies expands, demand for high-quality 4-Carbamimidoylbenzoic acid and related derivatives is expected to grow steadily in both academic and industrial research settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:15535-95-2)4-Carbamimidoylbenzoic acid
A921701
Purity:99%
Quantity:1g
Price ($):286.0
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