Cas no 61600-98-4 ((cyclopropylmethyl)urea)

(Cyclopropylmethyl)urea is a urea derivative featuring a cyclopropylmethyl substituent, offering unique reactivity and structural properties for synthetic and pharmaceutical applications. Its cyclopropyl group confers enhanced steric and electronic effects, making it valuable in the design of biologically active compounds or as a building block in organic synthesis. The urea moiety provides hydrogen-bonding capabilities, facilitating interactions in molecular recognition or supramolecular chemistry. This compound is particularly useful in medicinal chemistry for modifying pharmacokinetic properties or as an intermediate in the synthesis of more complex molecules. Its stability and well-defined reactivity profile make it a reliable choice for research and industrial applications requiring precise functionalization.
(cyclopropylmethyl)urea structure
(cyclopropylmethyl)urea structure
Product Name:(cyclopropylmethyl)urea
CAS No:61600-98-4
MF:C5H10N2O
MW:114.145700931549
CID:473282
PubChem ID:9547713
Update Time:2025-06-03

(cyclopropylmethyl)urea Chemical and Physical Properties

Names and Identifiers

    • Urea, (cyclopropylmethyl)-
    • cyclopropylmethylurea
    • N-CYCLOPROPYLMETHYLUREA
    • AC1Q4ZWY
    • CC-PMLSC-DMA-P126
    • CTK2D6531
    • N-(cyclopropylmethyl)urea
    • SureCN2000699
    • DTXSID20429512
    • CS-0248507
    • CHEMBL1492845
    • SMR000209013
    • SDCCGMLS-0091826.P001
    • NCGC00142287-01
    • SCHEMBL2000699
    • HMS3358E02
    • BDBM35455
    • 1-(cyclopropylmethyl)urea
    • cid_9547713
    • AKOS000146509
    • AB00636648-06
    • Z247615948
    • HMS2204L05
    • (cyclopropylmethyl)urea
    • MLS000889056
    • EN300-40025
    • 61600-98-4
    • DB-321097
    • G35540
    • Inchi: 1S/C5H10N2O/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)
    • InChI Key: IRQWLEOSDCDEHQ-UHFFFAOYSA-N
    • SMILES: O=C(N)NCC1CC1

Computed Properties

  • Exact Mass: 114.0794
  • Monoisotopic Mass: 114.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 98.6
  • 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: -0.3
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12

(cyclopropylmethyl)urea Pricemore >>

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Additional information on (cyclopropylmethyl)urea

Comprehensive Overview of (Cyclopropylmethyl)urea (CAS No. 61600-98-4): Properties, Applications, and Research Insights

(Cyclopropylmethyl)urea (CAS No. 61600-98-4) is a specialized organic compound featuring a cyclopropylmethyl group attached to a urea moiety. This unique structure grants it distinct chemical and biological properties, making it a subject of interest in pharmaceutical, agrochemical, and material science research. The compound’s molecular formula (C5H10N2O) and molecular weight (114.15 g/mol) are critical for its characterization and application in synthetic chemistry. Researchers often explore its hydrogen-bonding capacity and solubility profile, which are pivotal for drug design and formulation.

In recent years, the demand for cyclopropyl-containing compounds like (cyclopropylmethyl)urea has surged due to their role in modulating bioactivity and metabolic stability. This aligns with the growing trend of small-molecule drug discovery, where urea derivatives are leveraged for their ability to interact with biological targets. A common search query, such as "urea derivatives in medicinal chemistry", reflects this interest. The compound’s CAS No. 61600-98-4 is frequently cited in patents and academic papers, underscoring its relevance in structure-activity relationship (SAR) studies.

From a synthetic perspective, (cyclopropylmethyl)urea is often prepared via the reaction of cyclopropylmethylamine with urea or its equivalents. Its thermal stability and crystallinity are key parameters for industrial-scale production. Users searching for "synthesis of cyclopropylmethyl urea" or "CAS 61600-98-4 suppliers" typically seek practical insights into its commercial availability and lab-scale preparation. Notably, the compound’s melting point and NMR spectra are well-documented, aiding in quality control and analytical validation.

Beyond pharmaceuticals, (cyclopropylmethyl)urea has potential applications in agrochemicals, particularly as a precursor for herbicides and plant growth regulators. The cyclopropyl ring is known to enhance the lipophilicity and environmental persistence of such compounds, a topic often explored under search terms like "urea-based agrochemicals". Environmental scientists also investigate its degradation pathways to ensure compliance with green chemistry principles.

In material science, urea derivatives like CAS No. 61600-98-4 are studied for their self-assembly properties and potential use in supramolecular chemistry. The compound’s ability to form hydrogen-bonded networks makes it a candidate for designing functional materials, such as molecular sensors or porous frameworks. Queries like "urea in nanotechnology" highlight this interdisciplinary appeal.

Safety and handling of (cyclopropylmethyl)urea are governed by standard laboratory protocols. While not classified as hazardous, its MSDS (Material Safety Data Sheet) recommends proper personal protective equipment (PPE) during handling. This aligns with the broader industry focus on safe chemical practices, a recurring theme in searches like "urea derivative safety guidelines".

In conclusion, (cyclopropylmethyl)urea (CAS No. 61600-98-4) exemplifies the versatility of urea-based compounds in modern science. Its applications span drug development, agriculture, and advanced materials, driven by its tunable properties and structural simplicity. As research continues, this compound will likely remain a focal point for innovations in organic synthesis and applied chemistry.

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