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    CAS 76308-26-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 76308-26-4, Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride, 76308-13-9, Ethyl trans-2-(4-aminocyclohexyl)acetate, hcl, Ethyl 2-(4-aminocyclohexyl)acetate hydrochloride, Ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride
    Molecular Formula
    C10H20ClNO2
    Molecular Weight
    221.72  g/mol
    InChI Key
    KBMWRCPPPDEVSJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride
    2.1.2 InChI
    InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h8-9H,2-7,11H2,1H3;1H
    2.1.3 InChI Key
    KBMWRCPPPDEVSJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CC1CCC(CC1)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 76308-26-4

    2. Ethyl 2-(trans-4-aminocyclohexyl)acetate Hydrochloride

    3. 76308-13-9

    4. Ethyl Trans-2-(4-aminocyclohexyl)acetate, Hcl

    5. Ethyl 2-(4-aminocyclohexyl)acetate Hydrochloride

    6. Ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride

    7. Mfcd16660366

    8. 1984061-85-9

    9. Cyclohexaneacetic Acid, 4-amino-, Ethyl Ester, Hydrochloride, Trans-

    10. 4-aminocyclohexaneacetic Acid Ethyl Ester Hcl

    11. Ethyl Trans-2-(4-aminocyclohexyl)acetate Hcl

    12. Schembl229869

    13. Schembl229870

    14. 2-cyanomethyl-4-phenylthiazole

    15. Dtxsid70504126

    16. Amy20514

    17. Bcp30607

    18. Bda30826

    19. Cyclohexaneacetic Acid, 4-amino-, Ethyl Ester, Hydrochloride, Cis-

    20. Akos015902463

    21. At26919

    22. Ethyl Cis-4-amino-cyclohexaneacetate Hcl

    23. Cs-11197

    24. Ds-17115

    25. Sy008639

    26. Db-075100

    27. Cs-0008597

    28. Cs-0361400

    29. E1374

    30. Ft-0737396

    31. Ethyl 2-(trans-4-aminocyclohexyl)acetate Hcl

    32. Ethyl2-(4-aminocyclohexyl)acetatehydrochloride

    33. Ethyl 2-(4-aminocyclohexyl)acetate Hcl

    34. P15634

    35. Ethyl(trans-4-aminocyclohexyl)acetate Hydrochloride

    36. Ethyl (trans-4-aminocyclohexyl)acetate Hydrochloride

    37. Ethyl 2-(cis-4-aminocyclohexyl)acetate Hydrochloride

    38. Ethyl 2-[(1r,4r)-4-aminocyclohexyl]acetate Hcl

    39. F2167-8217

    40. Ethyl (4-aminocyclohexyl)acetate--hydrogen Chloride (1/1)

    41. (trans-4-amino-cyclohexyl)-acetic Acid Ethyl Ester Hydrochloride

    42. Trans-(4-amino-cyclohexyl)-acetic Acid Ethyl Ester Hydrochloride

    43. Ethyl 2-(trans-4-aminocyclohexyl)acetate Hydrochloride Pound>>trans-ethyl 2-(4-aminocyclohexyl)acetate Hydrochloride

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 221.72 g/mol
    Molecular Formula C10H20ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass221.1182566 g/mol
    Monoisotopic Mass221.1182566 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity162
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2