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    Tetradecyl Benzyl Dimethyl Ammonium Chloride Dihydrate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 147228-81-7, Dtxsid4046606, Dtxcid2026606, Refchem:566953, 629-491-5, N-benzyl-n,n-dimethyltetradecan-1-aminium chloride dihydrate
    Molecular Formula
    C23H46ClNO2
    Molecular Weight
    404.1  g/mol
    InChI Key
    YLPZVNXGKBIJBW-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl-dimethyl-tetradecylazanium;chloride;dihydrate
    2.1.2 InChI
    InChI=1S/C23H42N.ClH.2H2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;;;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H;2*1H2/q+1;;;/p-1
    2.1.3 InChI Key
    YLPZVNXGKBIJBW-UHFFFAOYSA-M
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 147228-81-7

    2. Dtxsid4046606

    3. Dtxcid2026606

    4. Refchem:566953

    5. 629-491-5

    6. N-benzyl-n,n-dimethyltetradecan-1-aminium Chloride Dihydrate

    7. Benzenemethanaminium, N,n-dimethyl-n-tetradecyl-, Chloride, Hydrate (1:1:2)

    8. Mfcd00149985

    9. Benzyl-dimethyl-tetradecylazanium;chloride;dihydrate

    10. Cas-147228-81-7

    11. Ncgc00166405-01

    12. C23h46clno2

    13. N,n-dimethyl-n-tetradecylbenzenemethanaminium Chloride Hydrate (1:1:2)

    14. Schembl2477509

    15. Chembl2361574

    16. Ylpzvnxgkbijbw-uhfffaoysa-m

    17. Tox21_112417

    18. Benzenemethanaminium, N,n-dimethyl-n-tetradecyl-, Chloride, Dihydrate

    19. Akos015889539

    20. Tox21_112417_1

    21. Ncgc00187943-02

    22. As-19605

    23. Cs-0163032

    24. E76330

    25. Benzyldimethyltetradecyl Ammonium Chloride Dihydrate

    26. F549445

    27. Tetradecyldimethylbenzylammonium Chloride Dihydrate

    28. Benzyl-dimethyl-tetradecyl-ammonium;chloride;dihydrate

    29. Benzyldimethyltetradecylammonium Chloride Dihydrate, 98%

    30. N-benzyl-n,n-dimethyltetradecan-1-aminiumchloridedihydrate

    31. Benzenemethanaminium,n,n-dimethyl-n-tetradecyl-, Chloride, Hydrate (1:1:2)

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 404.1 g/mol
    Molecular Formula C23H46ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count15
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area2
    Heavy Atom Count27
    Formal Charge0
    Complexity265
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
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