Cas no 780802-42-8 (Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI))

Carbamic acid, [4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) is a tert-butyl carbamate derivative with potential applications in organic synthesis and pharmaceutical intermediates. The compound features a carbamate group linked to a butyl chain substituted with an ethylamino moiety, offering versatility in chemical modifications. Its tert-butyl ester group enhances stability, making it suitable for controlled reactions under mild conditions. This structure is particularly useful in peptide synthesis and as a protecting group for amines. The ethylamino side chain may also facilitate solubility in polar solvents, improving reactivity in aqueous environments. Its well-defined molecular framework ensures reproducibility in synthetic processes.
Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) structure
780802-42-8 structure
Product Name:Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI)
CAS No:780802-42-8
MF:C11H24N2O2
MW:216.320463180542
CID:553800
PubChem ID:45092242
Update Time:2025-10-29

Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI)
    • tert-butyl 4-(ethylamino)butylcarbamate
    • tert-Butyl 4-(ethylamino)butylcarbamate,Carbamic acid, [4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI)
    • (4-ethylamino-butyl)-carbamic acid tert-butyl ester
    • [4-(Ethylamino)butyl]carbamic acid tert-butyl ester
    • tert-butyl N-[4-(ethylaMino)butyl]carbaMate
    • tert-Butyl (4-(ethylamino)butyl)carbamate
    • SCHEMBL2084039
    • AKOS015899588
    • tert-Butyl(4-(ethylamino)butyl)carbamate
    • 780802-42-8
    • BQKDTEARZIJYDU-UHFFFAOYSA-N
    • FT-0767139
    • Inchi: 1S/C11H24N2O2/c1-5-12-8-6-7-9-13-10(14)15-11(2,3)4/h12H,5-9H2,1-4H3,(H,13,14)
    • InChI Key: BQKDTEARZIJYDU-UHFFFAOYSA-N
    • SMILES: O(C(NCCCCNCC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 216.18400
  • Monoisotopic Mass: 216.184
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 9
  • Complexity: 176
  • 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
  • Topological Polar Surface Area: 50.4A^2
  • XLogP3: 1.6

Experimental Properties

  • Density: 0.935
  • PSA: 50.36000
  • LogP: 2.68260

Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) 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%

Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) Pricemore >>

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Additional information on Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI)

Comprehensive Overview of Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) (CAS No. 780802-42-8)

The compound Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI), identified by its CAS No. 780802-42-8, is a specialized chemical entity with significant relevance in pharmaceutical and agrochemical research. This tert-butyl carbamate derivative is characterized by its unique molecular structure, which includes an ethylamino-butyl chain, making it a valuable intermediate in synthetic chemistry. Researchers and industry professionals often seek information on its synthesis methods, applications in drug discovery, and physicochemical properties, reflecting its growing importance in modern science.

One of the key features of Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) is its role as a protective group reagent in organic synthesis. The tert-butyloxycarbonyl (Boc) group is widely used to protect amines during multi-step reactions, particularly in peptide synthesis. This aligns with current trends in green chemistry and sustainable synthesis, as researchers explore more efficient ways to minimize waste and improve yields. The compound's stability under various conditions makes it a preferred choice for high-throughput screening and combinatorial chemistry applications.

In the context of drug development, CAS No. 780802-42-8 has garnered attention for its potential as a building block for bioactive molecules. Its structural motif is found in several neurologically active compounds, which has led to increased searches for its structure-activity relationships (SAR) and metabolic pathways. Recent publications highlight its utility in designing targeted therapies, particularly in the field of central nervous system (CNS) disorders, a hot topic in pharmaceutical research.

The physicochemical profile of Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) is another area of interest for formulators and process chemists. Key parameters such as its solubility in organic solvents, melting point range, and storage stability are frequently searched topics, as these properties directly impact its handling and application in laboratory settings. The compound's compatibility with various catalysts and reaction conditions makes it versatile for parallel synthesis approaches.

Analytical characterization of CAS No. 780802-42-8 typically involves advanced techniques such as NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods are crucial for quality control in contract manufacturing organizations (CMOs) and research institutions. The growing demand for high-purity intermediates in the pharmaceutical industry has made proper characterization protocols a trending topic among analytical chemists.

From a regulatory perspective, the compound's safety data and handling guidelines are important considerations for laboratory personnel. While not classified as hazardous under standard conditions, proper personal protective equipment (PPE) and ventilation requirements are commonly searched in relation to its use. This reflects the broader industry focus on laboratory safety standards and risk assessment protocols.

The commercial availability of Carbamic acid,[4-(ethylamino)butyl]-, 1,1-dimethylethyl ester (9CI) through specialty chemical suppliers has made it accessible to researchers worldwide. Current market trends show increasing interest in custom synthesis services for this compound, particularly for isotope-labeled versions used in metabolic studies and tracer experiments. This aligns with the pharmaceutical industry's growing need for mechanistic studies and ADME profiling of new chemical entities.

In conclusion, CAS No. 780802-42-8 represents an important tool in modern chemical research, with applications spanning from medicinal chemistry to material science. Its versatility as a synthetic intermediate and protective group reagent continues to drive innovation in small molecule therapeutics development. As research into targeted drug delivery systems and precision medicine advances, compounds like this will likely remain at the forefront of scientific inquiry and industrial application.

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