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    Technical details about CAS 130198-05-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 130198-05-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 130198-05-9, 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride, 149289-31-6, 1-(4-methoxyphenyl)-2-aminoethyl cyclohexanol hydrochloride, 1-[2-amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride, N,n-didesmethylvenlafaxine hydrochloride
    Molecular Formula
    C15H24ClNO2
    Molecular Weight
    285.81  g/mol
    InChI Key
    NTKXIDDUCSFBBF-UHFFFAOYSA-N
    FDA UNII
    O00PWS7DPA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H
    2.1.3 InChI Key
    NTKXIDDUCSFBBF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    O00PWS7DPA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 130198-05-9

    2. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride

    3. 149289-31-6

    4. 1-(4-methoxyphenyl)-2-aminoethyl Cyclohexanol Hydrochloride

    5. 1-[2-amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Hydrochloride

    6. N,n-didesmethylvenlafaxine Hydrochloride

    7. 2-(4-methoxyphenyl)-2-(1-hydroxycyclohexyl)ethylamine Hydrochloride

    8. O00pws7dpa

    9. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride

    10. N,n-didesmethylvenlafaxine Hydrochloride, (+/-)-

    11. 1-(4-methoxyphenyl)-2-aminoethyl Cyclohexanol Hcl

    12. Mfcd06658143

    13. 1-(2-amino-1-(p-methoxyphenyl)ethyl)cyclohexanol Hydrochloride

    14. Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, Hydrochloride

    15. Cyclohexanol, 1-(2-amino-1-(4-methoxyphenyl)ethyl)-, Hydrochloride (1:1)

    16. Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, Hydrochloride (1:1)

    17. 1-(2-amino-1-(4-methoxyphenyl)ethyl) Cyclohexanol Hcl

    18. 1-[2-amino-1-(4-methoxy Phenyl)ethyl]cyclohexanol Hydrochloride

    19. 1-[(1rs)-2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride

    20. Unii-o00pws7dpa

    21. 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol Hcl

    22. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hcl

    23. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol Hydrochloride

    24. Ec 603-392-7

    25. Venlafaxine Impurity C Hcl

    26. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol.hcl

    27. Schembl3325847

    28. 1-[2-amino-1-(4-methyoxyphenyl)ethyl]cyclohexanol.hcl

    29. Dtxsid70893729

    30. Bcp09340

    31. Akos015888208

    32. Ac-7776

    33. Sb82214

    34. As-11903

    35. Sy037120

    36. Db-019460

    37. Db-042986

    38. Am20020381

    39. Cs-0150413

    40. Ft-0643123

    41. Ft-0643435

    42. 198m059

    43. A806037

    44. Q-100118

    45. Q27285135

    46. 1-[2-amino-1-(4-methyoxyphenyl)ethyl]cyclohexanol Hcl

    47. 1-[2-amino-1-(4-methoxyphenyl)-ethyl]cyclohexanol Hydrochloride

    48. 1-[2-amino-1-(4-methoxyphenyl)ethyl]-cyclohexanol Hydrochloride

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 285.81 g/mol
    Molecular Formula C15H24ClNO2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass285.1495567 g/mol
    Monoisotopic Mass285.1495567 g/mol
    Topological Polar Surface Area55.5 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity243
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2