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    Technical details about CAS 42036-65-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 42036-65-7

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    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 42036-65-7, 2-((dimethylamino)methyl)cyclohexanone hydrochloride, Tramadol related compound b, Nsc-12467, Nsc-620461, Dimethyl((2-oxocyclohexyl)methyl)ammonium chloride
    Molecular Formula
    C9H18ClNO
    Molecular Weight
    191.70  g/mol
    InChI Key
    CLVHTSWMNNSUSH-UHFFFAOYSA-N
    FDA UNII
    9UU6LE6AUC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H17NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h8H,3-7H2,1-2H3;1H
    2.1.3 InChI Key
    CLVHTSWMNNSUSH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CC1CCCCC1=O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9UU6LE6AUC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 42036-65-7

    2. 2-((dimethylamino)methyl)cyclohexanone Hydrochloride

    3. Tramadol Related Compound B

    4. Nsc-12467

    5. Nsc-620461

    6. Dimethyl((2-oxocyclohexyl)methyl)ammonium Chloride

    7. 2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride

    8. 9uu6le6auc

    9. 2-((dimethylamino)methyl)cyclohexan-1-one Hydrochloride

    10. 2-[(dimethylamino)methyl]cyclohexanone Hydrochloride

    11. 2-((dimethylamino)methyl)cyclohexanone Hydrochloride, (2rs)-

    12. Cyclohexanone, 2-((dimethylamino)methyl)-, Hydrochloride (1:1)

    13. 2-((dimethylamino)methyl)cyclohexanonehydrochloride

    14. (2rs)-2-[(dimethylamino)methyl]cyclohexanone Hydrochloride

    15. 2-dimethylaminomethyl-cyclohexanone

    16. 2-[(dimethylamino)methyl]cyclohexanonehydrochloride

    17. Unii-9uu6le6auc

    18. (2rs)-2-((dimethylamino)methyl)cyclohexanone Hydrochloride

    19. 2-dimethylaminomethyl-cyclohexanone Hydrochloride

    20. Tramadol Related Compound B [usp]

    21. Nsc620461

    22. 2-dimethylaminomethyl Cyclohexanone Hcl

    23. Tramadol Related Compound B Rs [usp]

    24. Tramadol Impurity E Hcl

    25. Ec 700-355-8

    26. Mls001029693

    27. Schembl3120247

    28. Chembl1329354

    29. Amy38302

    30. Nsc12467

    31. Ccg-54700

    32. Mfcd00102580

    33. Akos016008719

    34. Cs-w010717

    35. Ds-5013

    36. Smr000427042

    37. Ft-0663395

    38. Tramadol Related Compound B [usp-rs]

    39. 2-dimethylaminomethylcyclohexanone Hydrochloride

    40. 2-(bismethyl)aminomethylcyclohexanone Hcl

    41. 036d657

    42. 2-(bismethyl)aminomethylcyclohexanone Hydrochloride

    43. A872958

    44. Tramadol Related Compound B [usp Impurity]

    45. Sr-01000390594-2

    46. Q27273254

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 191.70 g/mol
    Molecular Formula C9H18ClNO
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass191.1076919 g/mol
    Monoisotopic Mass191.1076919 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity143
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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