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    Tributylmethylammonium Chloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 11Xls

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    2D Structure
    Also known as: 56375-79-2, N,n-dibutyl-n-methylbutan-1-aminium chloride, Methyltributylammonium chloride, Methyl tributyl ammonium chloride, 1-butanaminium, n,n-dibutyl-n-methyl-, chloride, Aliquat 175
    Molecular Formula
    C13H30ClN
    Molecular Weight
    235.84  g/mol
    InChI Key
    IPILPUZVTYHGIL-UHFFFAOYSA-M
    FDA UNII
    AZ0B34ME3U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tributyl(methyl)azanium;chloride
    2.1.2 InChI
    InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
    2.1.3 InChI Key
    IPILPUZVTYHGIL-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCCC[N+](C)(CCCC)CCCC.[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    AZ0B34ME3U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Tbuma

    2. Tri-n-butylmethylammonium

    3. Tri-n-butylmethylammonium Chloride

    4. Tri-n-butylmethylammonium Hydroxide

    5. Tri-n-butylmethylammonium Sulfate (1:1)

    6. Tributylmethylammonium

    7. Tributylmethylammonium Iodide

    2.3.2 Depositor-Supplied Synonyms

    1. 56375-79-2

    2. N,n-dibutyl-n-methylbutan-1-aminium Chloride

    3. Methyltributylammonium Chloride

    4. Methyl Tributyl Ammonium Chloride

    5. 1-butanaminium, N,n-dibutyl-n-methyl-, Chloride

    6. Aliquat 175

    7. Tributyl(methyl)azanium;chloride

    8. Az0b34me3u

    9. Tri-n-butylmethylammonium Chloride

    10. 1-butanaminium, N,n-dibutyl-n-methyl-, Chloride (1:1)

    11. Mfcd00011847

    12. Aliquat 175; Methyltributylammonium Chloride; Tributylmethylammonium Chloride

    13. Unii-az0b34me3u

    14. Einecs 260-135-8

    15. Tributyl-methyl-azanium

    16. Aliquat(r) 175

    17. Ec 260-135-8

    18. Dsstox_cid_24443

    19. Dsstox_rid_80232

    20. Dsstox_gsid_44443

    21. Schembl165919

    22. Methyl Tributylammonium Chloride

    23. Methyl-tributylammonium Chloride

    24. Tributylmethyl-ammonium Chloride

    25. Tripropylmethylammonium Chloride

    26. Chembl3181897

    27. Dtxsid5044443

    28. 3-amino-biphenyl-4-carboxylicacid

    29. Tox21_302100

    30. Akos015914843

    31. Ds-4840

    32. Ncgc00255710-01

    33. Cas-56375-79-2

    34. Db-050373

    35. Cs-0008409

    36. Ft-0656770

    37. T2873

    38. E80848

    39. Methyltri-n-butylammonium Chloride, Aliquat? 175

    40. Q27274198

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 235.84 g/mol
    Molecular Formula C13H30ClN
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count9
    Exact Mass235.2066777 g/mol
    Monoisotopic Mass235.2066777 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity98.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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