Cas no 15252-45-6 (Hex-5-yn-1-amine)

Hex-5-yn-1-amine is a linear aliphatic compound featuring both an amine and an alkyne functional group, making it a versatile intermediate in organic synthesis. The terminal alkyne group enables click chemistry applications, particularly in Cu-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, while the primary amine allows for further derivatization via amidation, Schiff base formation, or other amine-specific reactions. Its structure is valuable in pharmaceutical research, materials science, and bioconjugation, where selective reactivity and bifunctionality are required. The compound’s well-defined reactivity profile and compatibility with various reaction conditions enhance its utility in constructing complex molecular architectures. Proper handling under inert conditions is recommended due to potential sensitivity.
Hex-5-yn-1-amine structure
Hex-5-yn-1-amine structure
Product Name:Hex-5-yn-1-amine
CAS No:15252-45-6
MF:C6H11N
MW:97.1582415103912
CID:1332998
PubChem ID:10855384
Update Time:2025-10-28

Hex-5-yn-1-amine Chemical and Physical Properties

Names and Identifiers

    • 5-Hexyn-1-amine
    • 1-aminohex-5-yne
    • 6-Amino-1-hexyne
    • 1-Amino-5-hexyne
    • EN300-148400
    • SY283673
    • CS-0106594
    • 6-aminohex-1-yne
    • NoName_4549
    • MFCD09923614
    • Hex-5-yn-1-amine
    • A848808
    • DB-317708
    • AKOS012954730
    • 15252-45-6
    • D76652
    • 6-amino-hex-1-yne
    • Hex-5-ynylamine
    • ONUHRYKLJYSRMY-UHFFFAOYSA-N
    • DTXSID90903798
    • Inchi: 1S/C6H11N/c1-2-3-4-5-6-7/h1H,3-7H2
    • InChI Key: ONUHRYKLJYSRMY-UHFFFAOYSA-N
    • SMILES: NCCCCC#C

Computed Properties

  • Exact Mass: 97.08923
  • Monoisotopic Mass: 97.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 67.5
  • 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: 0.6
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 0.844±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 144 oC (760 Torr)
  • Flash Point: 40.3±17.9 oC,
  • Refractive Index: 1.4575 (589.3 nm 24 oC)
  • Solubility: Slightly soluble (17 g/l) (25 o C),
  • PSA: 26.02

Hex-5-yn-1-amine Pricemore >>

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