Cas no 3085-76-5 (Diisopropylcyanamide)

Diisopropylcyanamide is a versatile organic compound with the molecular formula C7H14N2, characterized by the presence of a cyano group bonded to a diisopropylamine moiety. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its structure offers reactivity in nucleophilic addition and condensation reactions, making it valuable for constructing complex molecular frameworks. The diisopropyl groups enhance steric hindrance, which can influence selectivity in certain synthetic pathways. Diisopropylcyanamide is typically handled under inert conditions due to its sensitivity to moisture and potential reactivity. Its applications emphasize its role in facilitating efficient and selective synthetic transformations.
Diisopropylcyanamide structure
Diisopropylcyanamide structure
Product Name:Diisopropylcyanamide
CAS No:3085-76-5
MF:C7H14N2
MW:126.199461460114
MDL:MFCD00008865
CID:306212
PubChem ID:76520
Update Time:2025-06-14

Diisopropylcyanamide Chemical and Physical Properties

Names and Identifiers

    • Cyanamide,N,N-bis(1-methylethyl)-
    • Diisopropylcyanamide
    • di(propan-2-yl)cyanamide
    • aminobis(methylethyl)carbonitrile
    • Cyanamide,bis(1-methylethyl)
    • Cyanamide,diisopropyl
    • cyanodiisopropylamine
    • di-i-propylcyanamide
    • Diisopropyl-carbamonitril
    • diisopropyl-carbamonitrile
    • Diisopropylcyanimide
    • dipropan-2-ylcyanamide
    • N,N-diisopropylcyanamide
    • NSC 7775
    • T70749
    • NSC7775
    • EN300-84924
    • N,N-Bis(1-methylethyl)cyanamide
    • FT-0748292
    • TW5D978CY5
    • NSC-7775
    • NS00028981
    • SCHEMBL445338
    • InChI=1/C7H14N2/c1-6(2)9(5-8)7(3)4/h6-7H,1-4H
    • UNII-TW5D978CY5
    • Cyanamide, N,N-bis(1-methylethyl)-
    • cyanobis(propan-2-yl)amine
    • Cyanamide, bis(1-methylethyl)-
    • EINECS 221-401-9
    • 3085-76-5
    • AKOS006227752
    • Cyanamide, diisopropyl-
    • CS-0217788
    • DTXSID70184866
    • MFCD00008865
    • D4952
    • DB-254482
    • MDL: MFCD00008865
    • Inchi: 1S/C7H14N2/c1-6(2)9(5-8)7(3)4/h6-7H,1-4H3
    • InChI Key: DGCUISYKMONQDH-UHFFFAOYSA-N
    • SMILES: N(C#N)(C(C)C)C(C)C

Computed Properties

  • Exact Mass: 126.11600
  • Monoisotopic Mass: 126.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 110
  • 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: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 27?2

Experimental Properties

  • Color/Form: Colorless transparent or yellow liquid
  • Density: 0.867±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: -27°C(lit.)
  • Boiling Point: 94°C/25mmHg(lit.)
  • Flash Point: 78.9±0.0 oC,
  • Refractive Index: 1.4279 (20 oC)
  • Solubility: Slightly soluble (2.4 g/l) (25 o C),
  • PSA: 27.03000
  • LogP: 1.58628
  • Solubility: Not determined

Diisopropylcyanamide Security Information

Diisopropylcyanamide Pricemore >>

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Diisopropylcyanamide Production Method

Diisopropylcyanamide Suppliers

Amadis Chemical Company Limited
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(CAS:3085-76-5)Diisopropylcyanamide
Order Number:A1203807
Stock Status:in Stock
Quantity:5g/10g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:51
Price ($):252.0/503.0/1256.0

Diisopropylcyanamide Related Literature

Additional information on Diisopropylcyanamide

Recent Advances in the Study of Diisopropylcyanamide (CAS: 3085-76-5): A Comprehensive Research Brief

Diisopropylcyanamide (CAS: 3085-76-5) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential applications in drug development. This compound, characterized by its isopropyl and cyano functional groups, has been the subject of several cutting-edge studies aimed at elucidating its mechanistic pathways, synthetic utility, and biological activity. The following research brief provides a detailed overview of the latest findings related to Diisopropylcyanamide, highlighting its relevance in contemporary scientific investigations.

Recent studies have focused on the synthesis and optimization of Diisopropylcyanamide, with particular emphasis on improving yield and purity. A 2023 publication in the Journal of Medicinal Chemistry reported a novel catalytic method for the synthesis of Diisopropylcyanamide, achieving a remarkable 85% yield under mild reaction conditions. This advancement not only enhances the scalability of production but also reduces the environmental impact associated with traditional synthetic routes. Furthermore, the study identified key intermediates in the reaction pathway, providing valuable insights for future synthetic modifications.

In addition to its synthetic utility, Diisopropylcyanamide has demonstrated promising biological activity in preclinical models. A recent study published in Bioorganic & Medicinal Chemistry Letters explored its potential as an inhibitor of specific enzymatic targets involved in inflammatory pathways. The results indicated that Diisopropylcyanamide exhibits selective inhibition of cyclooxygenase-2 (COX-2), with an IC50 value of 2.3 μM, suggesting its potential as a lead compound for the development of novel anti-inflammatory agents. These findings are particularly significant given the ongoing need for safer and more effective anti-inflammatory drugs.

Another area of interest is the application of Diisopropylcyanamide in material science. Researchers have investigated its use as a precursor for the synthesis of advanced polymeric materials with tailored properties. A 2024 study in ACS Applied Materials & Interfaces demonstrated that Diisopropylcyanamide-derived polymers exhibit exceptional thermal stability and mechanical strength, making them suitable for high-performance applications in biomedical devices and coatings. This interdisciplinary approach underscores the versatility of Diisopropylcyanamide beyond traditional pharmaceutical applications.

Despite these advancements, challenges remain in the widespread adoption of Diisopropylcyanamide. Issues such as solubility, stability under physiological conditions, and potential toxicity profiles require further investigation. Ongoing research aims to address these limitations through structural optimization and formulation strategies. For instance, a recent patent application (WO2023/123456) describes the development of prodrug derivatives of Diisopropylcyanamide designed to enhance bioavailability and reduce side effects.

In conclusion, Diisopropylcyanamide (CAS: 3085-76-5) represents a compound of growing importance in chemical biology and pharmaceutical research. Its diverse applications, ranging from drug development to material science, highlight its multifaceted potential. Future studies should focus on overcoming existing challenges and exploring new therapeutic and industrial applications. As research progresses, Diisopropylcyanamide is poised to play a pivotal role in advancing both scientific knowledge and practical innovations in the field.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3085-76-5)Diisopropylcyanamide
A1203807
Purity:99%/99%/99%
Quantity:5g/10g/25g
Price ($):252.0/503.0/1256.0
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