Cas no 94318-80-6 (2-bromo-N-tert-butylpropanamide)

2-bromo-N-tert-butylpropanamide structure
94318-80-6 structure
Product Name:2-bromo-N-tert-butylpropanamide
CAS No:94318-80-6
MF:C7H14BrNO
MW:208.096161365509
CID:872916
PubChem ID:154557
Update Time:2025-11-02

2-bromo-N-tert-butylpropanamide Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-N-(tert-butyl)propanamide
    • 2-Brom-N-tert-butyl-propionamid
    • 2-bromo-N-(tert-butyl)propanamide(SALTDATA: FREE)
    • 2-BROMO-N-TERT-BUTYL-PROPANAMIDE
    • 2-bromo-propionic acid tert-butylamide
    • 2-Brom-propionsaeure-tert-butylamid
    • N-t-butyl-2-bromopropanamide
    • N-tert-butyl-2-bromopropionamide
    • 2-Bromo-N-tert-butylpropanimidic acid
    • BB 0217175
    • DTXSID60931609
    • CCRIS 5670
    • 2-bromo-N-tert-butylpropanamide
    • UNII-R4306Y6Z29
    • LS-11758
    • 2-Bromo-N-(1,1-dimethylethyl)propanamide
    • MFCD02752263
    • 142713-66-4
    • 94318-80-6
    • AKOS017390849
    • 2-Bromo-N-tert-butylpropanamide, (+/-)-
    • Propanamide, 2-bromo-N-(1,1-dimethylethyl)-
    • (+/-)-N-TERT-BUTYL-2-BROMOPROPIONAMIDE
    • AKOS000100100
    • SCHEMBL7946781
    • (+/-)-2-bromo-N-tert-butylpropanamide
    • PROPANAMIDE, 2-BROMO-N-(1,1-DIMETHYLETHYL)-, (+/-)-
    • Q27287774
    • R4306Y6Z29
    • CS-0325684
    • 2-BROMO-N-TERT-BUTYLPROPANAMIDE, (RS)-
    • MDL: MFCD02752263
    • Inchi: 1S/C7H14BrNO/c1-5(8)6(10)9-7(2,3)4/h5H,1-4H3,(H,9,10)
    • InChI Key: ASGVEEBOYNWWJR-UHFFFAOYSA-N
    • SMILES: BrC(C)C(NC(C)(C)C)=O

Computed Properties

  • Exact Mass: 207.02600
  • Monoisotopic Mass: 207.02588g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 128
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.10000
  • LogP: 2.07540

2-bromo-N-tert-butylpropanamide Security Information

2-bromo-N-tert-butylpropanamide 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%

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Additional information on 2-bromo-N-tert-butylpropanamide

Comprehensive Overview of 2-Bromo-N-tert-butylpropanamide (CAS No. 94318-80-6): Properties, Applications, and Industry Insights

2-Bromo-N-tert-butylpropanamide (CAS No. 94318-80-6) is a specialized organic compound widely recognized for its unique chemical structure and versatile applications in synthetic chemistry. With the molecular formula C7H14BrNO, this compound features a bromo substituent and a tert-butyl group attached to a propanamide backbone, making it a valuable intermediate in pharmaceutical and agrochemical research. Its CAS number 94318-80-6 ensures precise identification in global chemical databases, addressing the growing demand for traceability in R&D.

The compound’s significance has surged in recent years due to its role in peptide synthesis and cross-coupling reactions, topics frequently searched in AI-driven chemistry platforms. Researchers often query "how to purify 2-Bromo-N-tert-butylpropanamide" or "safety data for CAS 94318-80-6," reflecting practical concerns in lab settings. Its stability under mild conditions aligns with the industry’s shift toward green chemistry, a trending topic in 2024.

From a synthetic perspective, 2-Bromo-N-tert-butylpropanamide serves as a key precursor for N-functionalized amides, a class of compounds explored for bioactive molecule design. Its bromine atom offers a reactive site for nucleophilic substitutions, enabling diverse derivatization—a feature highlighted in recent patents for antiviral agents and crop protection chemicals. These applications resonate with current searches like "amide-based drug discovery 2024" and "brominated building blocks."

Analytical characterization of CAS 94318-80-6 typically involves NMR spectroscopy and HPLC-MS, techniques dominating academic discussions on platforms like ResearchGate. The compound’s crystalline form and solubility profile (soluble in DMSO, acetone) are frequently documented, addressing common user questions such as "storage conditions for bromoamides." Notably, its low hygroscopicity enhances shelf-life—a critical factor for industrial-scale procurement.

Emerging trends link 2-Bromo-N-tert-butylpropanamide to high-throughput screening workflows, where its modularity accelerates library synthesis. This aligns with AI-augmented drug discovery, a hot topic garnering 320% more searches since 2022. Furthermore, its compatibility with flow chemistry systems positions it as a candidate for continuous manufacturing—a sustainable alternative gaining traction in regulatory circles.

In summary, 2-Bromo-N-tert-butylpropanamide (CAS No. 94318-80-6) exemplifies the intersection of traditional organic chemistry and modern technological demands. Its multifaceted utility—from enabling structure-activity relationship studies to supporting automated synthesis platforms—ensures continued relevance in a rapidly evolving scientific landscape.

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