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    CAS 7149-10-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 7149-10-2, 4-(aminomethyl)-2-methoxyphenol hydrochloride, Vanillylamine hydrochloride, N-vanillylamine hydrochloride, 4-aminomethyl-2-methoxyphenol hydrochloride, 4-(aminomethyl)-2-methoxyphenol;hydrochloride
    Molecular Formula
    C8H12ClNO2
    Molecular Weight
    189.64  g/mol
    InChI Key
    PUDMGOSXPCMUJZ-UHFFFAOYSA-N
    FDA UNII
    YD97FX0LRF
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(aminomethyl)-2-methoxyphenol;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H
    2.1.3 InChI Key
    PUDMGOSXPCMUJZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)CN)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    YD97FX0LRF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Vanillylamine

    2. Vanillylamine Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 7149-10-2

    2. 4-(aminomethyl)-2-methoxyphenol Hydrochloride

    3. Vanillylamine Hydrochloride

    4. N-vanillylamine Hydrochloride

    5. 4-aminomethyl-2-methoxyphenol Hydrochloride

    6. 4-(aminomethyl)-2-methoxyphenol;hydrochloride

    7. Mfcd00012864

    8. Yd97fx0lrf

    9. 4-hydroxy-3-methoxybenzylamine Hcl

    10. Phenol, 4-(aminomethyl)-2-methoxy-, Hydrochloride

    11. Nsc-62020

    12. 4-(aminomethyl)-2-methoxyphenol Hydrochloride (vanillylamine Hydrochloride)

    13. Vanillylamine Hcl

    14. Vanillyl Amine Hcl

    15. Unii-yd97fx0lrf

    16. Schembl1143187

    17. Dtxsid70221705

    18. 4-aminomethyl-2-methoxyphenol Hcl

    19. 4-hydroxy-3-methoxybenzylamine-hcl

    20. Act02775

    21. Bcp27352

    22. Nsc62020

    23. Einecs 230-468-3

    24. Nsc 62020

    25. Akos004907172

    26. Ac-4782

    27. Cs-w015927

    28. Ds-1112

    29. Ps-8404

    30. Sy018614

    31. Db-011662

    32. 3-methoxy-4-hydroxybenzylamine Hydrochloride

    33. 4-(aminomethyl)-2-methoxyphenolhydrochloride

    34. 4-hydroxyl-3-methoxybenzylamine Hydrochloride

    35. Am20061145

    36. Ft-0617579

    37. 4-hydroxy-3-methoxybenzyl-amine Hydrochloride

    38. En300-36042

    39. (4-hydroxy-3-methoxyphenyl)methylazanium;chloride

    40. 149h102

    41. 4-hydroxy-3-methoxybenzylamine Hydrochloride, 98%

    42. A929668

    43. J-802307

    44. W-104522

    45. 4-(aminomethyl)-2-methoxyphenol Hydrochloride (1:1)

    46. Z381785798

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 189.64 g/mol
    Molecular Formula C8H12ClNO2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass189.0556563 g/mol
    Monoisotopic Mass189.0556563 g/mol
    Topological Polar Surface Area55.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity119
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2