Cas no 592-17-6 (Isobutyl Urea)

Isobutyl Urea is a substituted urea derivative with the molecular formula C5H12N2O. It is characterized by the presence of an isobutyl group attached to the urea moiety, which influences its solubility and reactivity. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features contribute to enhanced stability and compatibility in various reaction conditions. Isobutyl Urea is also employed in research applications, where its predictable reactivity and ease of functionalization make it a valuable building block. The compound is typically supplied as a white crystalline solid with high purity, ensuring consistent performance in synthetic processes.
Isobutyl Urea structure
Isobutyl Urea structure
Product Name:Isobutyl Urea
CAS No:592-17-6
MF:C5H12N2O
MW:116.161581039429
MDL:MFCD00038141
CID:371295
PubChem ID:79051
Update Time:2025-08-04

Isobutyl Urea Chemical and Physical Properties

Names and Identifiers

    • 1-Isobutylurea
    • Isobutyl Urea
    • Urea,N-(2-methylpropyl)-
    • 2-methylpropylurea
    • N-Isobutylurea
    • NSC 27457
    • GEO-01610
    • DTXSID00207936
    • HMS1782F22
    • n-(2-methylpropyl)urea
    • NSC-27457
    • 1-iso-Butylurea
    • (2-Methylpropyl)urea
    • A869244
    • UNII-25BL0M5L6L
    • Urea, (2-methylpropyl)-
    • 592-17-6
    • MFCD00038141
    • GS-0685
    • BRN 1744773
    • EN300-17153
    • MQBITTBZTXUIPN-UHFFFAOYSA-N
    • Urea, isobutyl-
    • NSC27457
    • 4-04-00-00648 (Beilstein Handbook Reference)
    • Z56895708
    • AKOS000200344
    • 2-methyl-propyl-urea
    • Isobutylharnstoff
    • FT-0670436
    • Q27253944
    • 25BL0M5L6L
    • N-iso-Butylurea
    • SCHEMBL23863
    • Isobutylurea
    • Urea, (2-methylpropyl)-(9CI)
    • DB-081004
    • DTXCID50130427
    • N-(2-Methylpropyl)urea; N-Isobutylurea; NSC 27457;
    • MDL: MFCD00038141
    • Inchi: 1S/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
    • InChI Key: MQBITTBZTXUIPN-UHFFFAOYSA-N
    • SMILES: O=C(N)NCC(C)C

Computed Properties

  • Exact Mass: 116.09500
  • Monoisotopic Mass: 116.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 80.5
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.3
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 0.959
  • Melting Point: 171-172 oC
  • Boiling Point: 172 oC
  • Flash Point: 58 oC
  • PSA: 55.12000
  • LogP: 1.40190

Isobutyl Urea Security Information

  • Safety Instruction: S22-S24/25
  • Safety Term:S22;S24/25
  • Storage Condition:Sealed in dry,2-8°C

Isobutyl Urea Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Isobutyl Urea Pricemore >>

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Isobutyl Urea Suppliers

Amadis Chemical Company Limited
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(CAS:592-17-6)Isobutyl Urea
Order Number:A869244
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:16
Price ($):271.0

Isobutyl Urea Related Literature

Additional information on Isobutyl Urea

Isobutyl Urea (CAS No. 592-17-6): A Comprehensive Overview in Modern Chemical and Pharmaceutical Applications

Isobutyl Urea, chemically identified by the CAS number 592-17-6, is an organic compound that has garnered significant attention in various scientific and industrial domains. This compound, characterized by its molecular formula C?H??NO?, belongs to the urea derivative family, which is well-known for its diverse applications in pharmaceuticals, agrochemicals, and material science. The unique structural properties of Isobutyl Urea make it a versatile intermediate in chemical synthesis, particularly in the development of novel materials and bioactive molecules.

The compound’s molecular structure consists of an isobutyl group attached to a urea moiety. This configuration imparts specific reactivity and solubility characteristics, making it valuable in formulating solutions for various industrial processes. In recent years, researchers have been exploring the potential of Isobutyl Urea in drug development, particularly as a precursor in synthesizing bioactive peptides and small molecules. Its ability to act as a chiral auxiliary in asymmetric synthesis has also been a subject of extensive study, offering new avenues for developing enantiomerically pure pharmaceuticals.

One of the most compelling aspects of Isobutyl Urea is its role in polymer chemistry. The compound has been utilized as a monomer or crosslinking agent in the synthesis of polyurethane-based materials. These polymers exhibit excellent thermal stability and mechanical strength, making them suitable for applications in automotive parts, construction materials, and high-performance coatings. The incorporation of Isobutyl Urea into polymer matrices has been shown to enhance material properties such as flexibility and durability, which are critical for modern industrial applications.

In the realm of pharmaceuticals, Isobutyl Urea has been investigated for its potential biological activities. Studies have demonstrated its efficacy as an intermediate in the synthesis of urea-based drugs that target specific enzymatic pathways. For instance, derivatives of Isobutyl Urea have shown promise in inhibiting certain kinases and proteases, which are implicated in various diseases such as cancer and inflammatory disorders. The compound’s ability to modulate these pathways makes it a valuable candidate for further pharmacological exploration.

The agrochemical industry has also recognized the significance of Isobutyl Urea. It serves as a key component in formulating plant growth regulators and pesticides. Its derivatives have been found to enhance crop yield by improving nutrient uptake and stress tolerance. Additionally, the compound’s compatibility with other agrochemicals allows for the development of synergistic formulations that are more effective than individual components alone.

Recent advancements in green chemistry have highlighted the environmental benefits of using Isobutyl Urea as a sustainable chemical intermediate. Researchers have developed eco-friendly synthetic routes that minimize waste generation and reduce energy consumption. These innovations align with global efforts to promote sustainable practices in chemical manufacturing, ensuring that the production of Isobutyl Urea is both efficient and environmentally responsible.

The analytical chemistry of Isobutyl Urea has also seen significant progress. Modern techniques such as high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry (MS) have enabled precise characterization and quantification of this compound. These analytical methods are crucial for quality control in pharmaceutical manufacturing and ensure that Isobutyl Urea-based products meet stringent regulatory standards.

Future research directions for Isobutyl Urea include exploring its potential applications in nanotechnology and biomedicine. The compound’s ability to form stable complexes with nanoparticles has opened up possibilities for drug delivery systems that target specific cells or tissues. Additionally, its role in developing biodegradable polymers could contribute to advancements in medical implants and tissue engineering.

In conclusion, Isobutyl Urea (CAS No. 592-17-6) is a multifaceted compound with broad applications across multiple industries. Its unique chemical properties make it indispensable in pharmaceuticals, polymers, agrochemicals, and green chemistry. As research continues to uncover new uses for this compound, its significance is expected to grow even further, driving innovation and sustainability across various scientific domains.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:592-17-6)Isobutyl Urea
A869244
Purity:99%
Quantity:25g
Price ($):271.0
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