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    Technical details about CAS 15996-76-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 15996-76-6

    BUILDING BLOCK

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    2D Structure
    Also known as: 15996-76-6, 4-cyanobenzylamine hydrochloride, 4-cyanobenzylamine hcl, 4-(aminomethyl)benzonitrile, hcl, 4-(aminomethyl)benzonitrile hcl, 4-(aminomethyl)benzonitrile;hydrochloride
    Molecular Formula
    C8H9ClN2
    Molecular Weight
    168.62  g/mol
    InChI Key
    QREZLLYPLRPULF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(aminomethyl)benzonitrile;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H
    2.1.3 InChI Key
    QREZLLYPLRPULF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CN)C#N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 15996-76-6

    2. 4-cyanobenzylamine Hydrochloride

    3. 4-cyanobenzylamine Hcl

    4. 4-(aminomethyl)benzonitrile, Hcl

    5. 4-(aminomethyl)benzonitrile Hcl

    6. 4-(aminomethyl)benzonitrile;hydrochloride

    7. Benzonitrile, 4-(aminomethyl)-, Monohydrochloride

    8. Mfcd01861472

    9. 4-(aminomethyl)benzonitrile Hydrochloride, 97%

    10. 4-(aminomethyl)benzonitrilehydrochloride

    11. 4-aminomethyl-benzonitrile Hydrochloride

    12. 4-cyanobenzyl Amine Hcl

    13. 4-aminomethylbenzonitrile Hcl

    14. Schembl154002

    15. P-cyanobenzylamine Hydrochloride

    16. Benzonitrile, 4-(aminomethyl)-, Hydrochloride (1:1)

    17. Dtxsid90433101

    18. 4-cyano-benzyl Amine Hydrochloride

    19. Act00198

    20. P-cyanobenzylamine Hydrogen Chloride

    21. Ck2122

    22. 4-aminomethylbenzonitrile Hydrochloride

    23. Akos005258846

    24. Ac-4566

    25. Alpha-amino-p-tolunitrile Hydrochloride

    26. Cs-w007809

    27. 4-(aminomethyl)-benzonitrile Hcl

    28. P-(aminomethyl)benzonitrile Hydrochloride

    29. Bp-13015

    30. Sy007868

    31. Ts-02287

    32. 4-(aminomethyl)-benzonitrile Hydrochloride

    33. Am20060522

    34. Ft-0649364

    35. En300-66289

    36. J-009659

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 168.62 g/mol
    Molecular Formula C8H9ClN2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass168.0454260 g/mol
    Monoisotopic Mass168.0454260 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity137
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2