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    Benzyltributylammonium Bromide

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 25316-59-0, N-benzyl-n,n-dibutylbutan-1-aminium bromide, Benzyl tributyl ammonium bromide, Benzyl(tributyl)azanium;bromide, Benzenemethanaminium, n,n,n-tributyl-, bromide, Mfcd00011848
    Molecular Formula
    C19H34BrN
    Molecular Weight
    356.4  g/mol
    InChI Key
    UDYGXWPMSJPFDG-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl(tributyl)azanium;bromide
    2.1.2 InChI
    InChI=1S/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
    2.1.3 InChI Key
    UDYGXWPMSJPFDG-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Benzyltributylammonium

    2. Benzyltributylammonium Chloride

    3. Benzyltributylammonium Hydroxide

    2.2.2 Depositor-Supplied Synonyms

    1. 25316-59-0

    2. N-benzyl-n,n-dibutylbutan-1-aminium Bromide

    3. Benzyl Tributyl Ammonium Bromide

    4. Benzyl(tributyl)azanium;bromide

    5. Benzenemethanaminium, N,n,n-tributyl-, Bromide

    6. Mfcd00011848

    7. Tributylbenzylammonium Bromide

    8. Benzyl-tributyl-azanium

    9. Benzyltri-n-butylammonium Bromide

    10. Benzyltributyl Ammonium Bromide

    11. Schembl240143

    12. N-benzyltributyl-ammoniumbromide

    13. Dtxsid80948158

    14. Benzyl Tri-n-butylammonium Bromide

    15. Benzyltri(n-butyl)ammonium Bromide

    16. Benzyl-tri-(n-butyl)ammonium Bromide

    17. Nsc152464

    18. Tributyl-(phenylmethyl)azanium Bromide

    19. Akos015833014

    20. Benzyl-tri-(n-butyl) Ammonium Bromide

    21. Tributyl-(phenylmethyl)ammonium Bromide

    22. Cs-w011838

    23. Jc10032

    24. Nsc-152464

    25. Ac-11050

    26. Bs-16746

    27. Sy037760

    28. Db-050384

    29. Ft-0622787

    30. Ft-0657328

    31. D70188

    32. A817780

    33. J-519835

    34. Benzenemethanaminium, N,n,n-tributyl-, Bromide;benzyltri-n-butylammonium Bromide;benzyltributylammonium Bromide;tributylbenzylammonium Bromide;benzyl Tributyl Ammonium Bromide

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 356.4 g/mol
    Molecular Formula C19H34BrN
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count11
    Exact Mass355.18746 g/mol
    Monoisotopic Mass355.18746 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity196
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2