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    CAS 125995-13-3

    BUILDING BLOCK

    MARKET PLACE

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    2D Structure
    Also known as: 125995-13-3, Tert-butyl 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, (4r,cis)-1,1-dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, 1,1-dimethylethyl (4r-cis)-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate, Tert-butyl 2-((4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
    Molecular Formula
    C14H27NO4
    Molecular Weight
    273.37  g/mol
    InChI Key
    HWSHVKNLMBMKSR-GHMZBOCLSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
    2.1.2 InChI
    InChI=1S/C14H27NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6-9,15H2,1-5H3/t10-,11-/m1/s1
    2.1.3 InChI Key
    HWSHVKNLMBMKSR-GHMZBOCLSA-N
    2.1.4 Canonical SMILES
    CC1(OC(CC(O1)CC(=O)OC(C)(C)C)CCN)C
    2.1.5 Isomeric SMILES
    CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CCN)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 125995-13-3

    2. Tert-butyl 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

    3. (4r,cis)-1,1-dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate

    4. (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

    5. 1,1-dimethylethyl (4r-cis)-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate

    6. Tert-butyl 2-((4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

    7. 1,3-dioxane-4-acetic Acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl Ester, (4r,6r)-

    8. Mfcd07369252

    9. Schembl916725

    10. Zinc4284042

    11. Akos015894231

    12. Am90285

    13. Cs-w003388

    14. Ds-10700

    15. Db-005514

    16. 95b133

    17. 995b133

    18. A805453

    19. J-005316

    20. (4r,6r)-tert-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4acetate

    21. (+/-)-cis-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

    22. (4r)-2,2-dimethyl-6beta-(2-aminoethyl)-1,3-dioxane-4beta-acetic Acid Tert-butyl Ester

    23. (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, Aldrichcpr

    24. (4r-cis)-1,1-dimethyethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

    25. (4r-cis)-1,1-dimethyl Ethyl-6-amino Ethyl-2,2-dimethyl-1,3-dioxane-4-acetate

    26. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl) -2,2-dimethyl-1,3-dioxane-4-acetate

    27. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)- 2,2-dimethyl-1,3-dioxane-4-acetate

    28. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

    29. (4r-cis)-1,1dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

    30. [(4r,6r)-6-(2-amino-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic Acid Tert-butyl Ester

    31. 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic Acid Tert-butyl Ester

    32. T-butyl 2-((4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-yl)acetate

    33. Tert-butyl [(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

    34. 1,3-dioxane-4-aceticacid,6-(2-aminoethyl-2-13c)-2,2-dimethyl-,1,1-dimethylethyl Ester,(4r-cis)-(9ci)

    35. 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-3,3-dimethyl-butanoate;(4r,6r)-tert-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 273.37 g/mol
    Molecular Formula C14H27NO4
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass273.19400834 g/mol
    Monoisotopic Mass273.19400834 g/mol
    Topological Polar Surface Area70.8 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity309
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1