Cas no 57297-27-5 (3-methylbutanimidamide hydrochloride)

3-methylbutanimidamide hydrochloride structure
57297-27-5 structure
Product Name:3-methylbutanimidamide hydrochloride
CAS No:57297-27-5
MF:C5H13ClN2
MW:136.623120069504
MDL:MFCD10697953
CID:345834
PubChem ID:18967932
Update Time:2025-04-24

3-methylbutanimidamide hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Butanimidamide, 3-methyl-, monohydrochloride
    • 3-methylbutanimidamide,hydrochloride
    • 3-Methyl-butyramidine HCl
    • 3‐METHYL‐BUTYRAMIDINE HCL
    • 1-(2-methylpropyl)carbamidine hydrochloride
    • 1-AMINO-3-METHYLBUTAN-1-IMINIUM CHLORIDE
    • 3-METHYL-BUTYRAMIDINE HYDROCHLORIDE
    • AB60903
    • iso-butylamidine hydrochloride
    • isobutylcarbamidine hydrochloride
    • Isovaleramidin, Hydrochlorid
    • isovaleramidine, hydrochloride
    • M33005
    • Z1346385639
    • MFCD10697953
    • EN300-100194
    • 3-Methylbutanimidamidehydrochloride
    • 3-methylbutanimidamide;hydrochloride
    • isovaleramidine hydrochloride
    • 57297-27-5
    • AKOS026672165
    • DTXSID30596966
    • SY020383
    • 3-Methylbutanimidamide hydrochloride
    • BS-38363
    • SYMBJSDZFDGMCY-UHFFFAOYSA-N
    • isopropylacetamidine hydrochloride
    • 3-Methylbutanimidamide--hydrogen chloride (1/1)
    • A918399
    • SCHEMBL1025428
    • G19799
    • 3-Methylbutanimidamide HCl
    • 3-methylbutanimidamide hydrochloride
    • MDL: MFCD10697953
    • Inchi: 1S/C5H12N2.ClH/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H
    • InChI Key: SYMBJSDZFDGMCY-UHFFFAOYSA-N
    • SMILES: Cl.NC(CC(C)C)=N

Computed Properties

  • Exact Mass: 136.0767261g/mol
  • Monoisotopic Mass: 136.0767261g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 66.5
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.9?2

3-methylbutanimidamide hydrochloride Pricemore >>

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Additional information on 3-methylbutanimidamide hydrochloride

Butanimidamide, 3-methyl-, monohydrochloride (CAS No. 57297-27-5): A Comprehensive Overview

Butanimidamide, 3-methyl-, monohydrochloride (CAS No. 57297-27-5) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research and chemical synthesis. This compound, often referred to as 3-methylbutanimidamide hydrochloride, is a derivative of butanimidamide, featuring a methyl group substitution and a monohydrochloride salt form. Its unique chemical structure and properties make it a valuable intermediate in various synthetic pathways, particularly in the development of bioactive molecules.

The chemical formula of Butanimidamide, 3-methyl-, monohydrochloride is C5H12N2O·HCl, with a molecular weight of approximately 152.62 g/mol. The compound is characterized by its white to off-white crystalline powder appearance, which is typical for many hydrochloride salts. Its solubility in water and polar organic solvents makes it highly versatile for laboratory and industrial applications. Researchers often utilize this compound in the synthesis of heterocyclic compounds, which are pivotal in drug discovery and material science.

One of the most notable applications of Butanimidamide, 3-methyl-, monohydrochloride is its role as a building block in medicinal chemistry. The compound's reactive functional groups, including the amidine and hydrochloride moieties, allow for facile modifications, enabling the creation of diverse molecular architectures. This property is particularly valuable in the design of small-molecule inhibitors and enzyme modulators, which are critical in targeting diseases such as cancer, metabolic disorders, and infectious diseases.

In recent years, the demand for 3-methylbutanimidamide hydrochloride has surged due to its relevance in green chemistry and sustainable synthesis. As the scientific community shifts toward environmentally friendly practices, this compound has emerged as a key player in catalytic reactions and solvent-free processes. Its ability to participate in multicomponent reactions (MCRs) without generating hazardous byproducts aligns with the principles of atom economy and waste reduction.

From a market perspective, Butanimidamide, 3-methyl-, monohydrochloride is primarily supplied by specialized chemical manufacturers and distributors catering to the pharmaceutical and agrochemical industries. The compound's purity and consistency are critical factors for end-users, as impurities can significantly impact the outcomes of synthetic reactions. High-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are commonly employed to ensure the quality of commercially available batches.

The stability of Butanimidamide, 3-methyl-, monohydrochloride under various storage conditions is another area of interest. The compound is typically stored in a cool, dry environment, away from light and moisture, to prevent degradation. Its shelf life can be extended by using airtight containers and desiccants, ensuring that it remains effective for prolonged periods. This stability is particularly advantageous for large-scale industrial applications where long-term storage is necessary.

Researchers and industry professionals frequently search for Butanimidamide, 3-methyl-, monohydrochloride suppliers, synthesis methods, and applications in drug discovery. These long-tail keywords reflect the growing interest in this compound's potential. Additionally, queries related to its safety data sheet (SDS) and regulatory status are common, highlighting the need for transparent and accessible information about its handling and usage.

In conclusion, Butanimidamide, 3-methyl-, monohydrochloride (CAS No. 57297-27-5) is a multifaceted compound with broad applicability in scientific research and industrial processes. Its role as a synthetic intermediate, coupled with its compatibility with sustainable chemistry practices, positions it as a valuable asset in modern chemical innovation. As advancements in pharmaceutical and material sciences continue, the significance of this compound is expected to grow, driving further exploration and utilization in diverse fields.

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