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    Chemistry

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    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
    Vanillylamine
    1 2D Structure

    Vanillylamine

    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

    API Reference Price

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    20-Aug-2022
    20-Aug-2022
    KGS
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    Average Price (USD/KGS)

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