Cas no 53146-06-8 (2-Butyn-1-amine,N-2-butyn-1-yl-)

2-Butyn-1-amine, N-2-butyn-1-yl-, is a specialized alkyne-functionalized amine compound with applications in organic synthesis and pharmaceutical intermediates. Its terminal alkyne group enables selective coupling reactions, such as click chemistry (e.g., CuAAC), while the amine functionality allows for further derivatization or coordination in metal complexes. The compound’s linear structure and reactive sites make it useful for constructing heterocycles, polymers, or bioactive molecules. Its stability under controlled conditions and compatibility with common solvents enhance its utility in research and industrial processes. Proper handling is required due to potential reactivity hazards. This compound is valued for its versatility in synthetic chemistry and material science applications.
2-Butyn-1-amine,N-2-butyn-1-yl- structure
53146-06-8 structure
Product Name:2-Butyn-1-amine,N-2-butyn-1-yl-
CAS No:53146-06-8
MF:C8H11N
MW:121.179641962051
CID:387177
PubChem ID:3146901
Update Time:2025-10-29

2-Butyn-1-amine,N-2-butyn-1-yl- Chemical and Physical Properties

Names and Identifiers

    • 2-Butyn-1-amine,N-2-butyn-1-yl-
    • Di-but-2-ynyl-amine
    • N-but-2-ynylbut-2-yn-1-amine
    • Di-2-butinylamin
    • N-(but-2-yn-1-yl)but-2-yn-1-amine
    • dibut-2-ynylamine
    • N-2-Butyn-1-yl-2-butyn-1-amine
    • 53146-06-8
    • FT-0676689
    • SCHEMBL1880159
    • DTXSID30389850
    • AKOS000300365
    • MDL： MFCD03042782
    • Inchi： 1S/C8H11N/c1-3-5-7-9-8-6-4-2/h9H,7-8H2,1-2H3
    • InChI Key： NSSUYRUVVPJZGI-UHFFFAOYSA-N
    • SMILES： N(CC#CC)CC#CC

Computed Properties

  • Exact Mass: 121.08900
  • Monoisotopic Mass: 121.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 156
  • 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: 1
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03000
  • LogP: 1.01350

2-Butyn-1-amine,N-2-butyn-1-yl- Security Information

2-Butyn-1-amine,N-2-butyn-1-yl- Customs Data

  • HS CODE：2921199090
  • Customs Data：

    China Customs Code:

    2921199090

    Overview:

    2921199090 Other acyclic monoamines and their derivatives and salts.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-Butyn-1-amine,N-2-butyn-1-yl- Pricemore >>

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2-Butyn-1-amine,N-2-butyn-1-yl- Related Literature

Additional information on 2-Butyn-1-amine,N-2-butyn-1-yl-

2-butyn-1-amine, N-(2-butynyl) - CAS No.: 53146 - 06 - 8

The compound 2-butynylamine, also known as N-(2-butynyl) amine, is a versatile organic compound with the CAS registry number 53146 - 06 - 8. This compound belongs to the class of alkynes and amines, making it a valuable intermediate in various chemical reactions and syntheses.

The structure of this compound consists of a butyne group (-C≡C-) attached to an amine group (-NH?). The triple bond in the butyne group imparts unique electronic properties, making this compound reactive and suitable for a wide range of applications in organic synthesis.

Recent studies have highlighted the role of N-(2-butynyl) amine in the synthesis of heterocyclic compounds, which are of significant importance in drug discovery and materials science.

In terms of physical properties, this compound exhibits a boiling point of approximately 79°C and is sparingly soluble in water but readily soluble in organic solvents like ethanol and ether.

The synthesis of N-(2-butynyl) amine can be achieved through various methods, including the reaction of 2-butyne with ammonia under catalytic hydrogenation conditions or via the alkylation of ammonia with an appropriate alkyl halide.

One of the most notable applications of this compound is its use as a precursor in the preparation of substituted pyridines and other nitrogen-containing heterocycles.

Moreover, recent research has explored its potential as a building block for synthesizing bioactive molecules with anti-cancer and anti-inflammatory properties.

In conclusion, N-(2-butynyl) amine (CAS No.: 53146 - 06 - 8) is a fundamental compound in organic chemistry with diverse applications across various fields.

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