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    917-92-0 manufacturers and suppliers on PharmaCompass

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    917-92-0

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    917-92-0
    Also known as: 917-92-0, 3,3-dimethylbut-1-yne, Tert-butylacetylene, 3,3-dimethylbutyne, T-butylacetylene, 1-butyne, 3,3-dimethyl-
    Molecular Formula
    C6H10
    Molecular Weight
    82.14  g/mol
    InChI Key
    PPWNCLVNXGCGAF-UHFFFAOYSA-N
    FDA UNII
    PX4NL23U52
    1 2D Structure

    917-92-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,3-dimethylbut-1-yne
    2.1.2 InChI
    InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
    2.1.3 InChI Key
    PPWNCLVNXGCGAF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C#C
    2.2 Other Identifiers
    2.2.1 UNII
    PX4NL23U52
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. T-butyl Acetylene

    2.3.2 Depositor-Supplied Synonyms

    1. 917-92-0

    2. 3,3-dimethylbut-1-yne

    3. Tert-butylacetylene

    4. 3,3-dimethylbutyne

    5. T-butylacetylene

    6. 1-butyne, 3,3-dimethyl-

    7. T-butyl Acetylene

    8. 3,3,3-trimethylpropyne

    9. Mfcd00008852

    10. Px4nl23u52

    11. Chembl1908221

    12. Einecs 213-035-3

    13. Ec 213-035-3

    14. 51730-68-8

    15. 1-butyne,3,3-dimethyl-

    16. 3,3-dimethylbutyne-1

    17. Tertbutylacetylene

    18. Tert-butylacetyiene

    19. Tert-butylacetylide

    20. Tert-butyl Acetylene

    21. 33-dimethyl-1-butyne

    22. 3.3-dimethyl-1-butyne

    23. 3,3-dimethyl-but-l-yne

    24. 2,2-dimethyl-but-3-yne

    25. 3,3-dimethyl- 1-butyne

    26. 3,3-dimethyl-but-1-yne

    27. 3, 3-dimethyl-but-1-yne

    28. Unii-px4nl23u52

    29. (ch3)3cc.$.ch

    30. Dtxsid70238671

    31. 3,3-dimethyl-1-butyne, 98%

    32. Bdbm50027798

    33. Akos015841094

    34. B1114

    35. Ft-0601139

    36. En300-83192

    37. F15435

    38. A844068

    39. J-511081

    40. Inchi=1/c6h10/c1-5-6(2,3)4/h1h,2-4h

    41. F0001-2465

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 82.14 g/mol
    Molecular Formula C6H10
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area0
    Heavy Atom Count6
    Formal Charge0
    Complexity73.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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