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    CAS 13433-00-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 13433-00-6, Diethyl 2-aminomalonate hydrochloride, Aminomalonic acid diethyl ester hydrochloride, Mfcd00012510, Diethyl 2-aminomalonate hcl, 1,3-diethyl 2-aminopropanedioate hydrochloride
    Molecular Formula
    C7H14ClNO4
    Molecular Weight
    211.64  g/mol
    InChI Key
    GLFVNTDRBTZJIY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diethyl 2-aminopropanedioate;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H
    2.1.3 InChI Key
    GLFVNTDRBTZJIY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(C(=O)OCC)N.Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Diethyl Aminomalonate

    2.2.2 Depositor-Supplied Synonyms

    1. 13433-00-6

    2. Diethyl 2-aminomalonate Hydrochloride

    3. Aminomalonic Acid Diethyl Ester Hydrochloride

    4. Mfcd00012510

    5. Diethyl 2-aminomalonate Hcl

    6. 1,3-diethyl 2-aminopropanedioate Hydrochloride

    7. 1,3-diethyl 2-aminopropanedioate, Hcl

    8. Diethyl 2-aminopropanedioate;hydrochloride

    9. Propanedioic Acid, Amino-, Diethyl Ester, Hydrochloride

    10. Diethyl Aminomalonate Hcl

    11. Einecs 236-556-8

    12. Schembl275716

    13. Diethylaminomalonatehydrochloride

    14. Dtxsid50158646

    15. Diethyl2-aminomalonatehydrochloride

    16. Act02715

    17. Amy10715

    18. Bcp32634

    19. Nsc76074

    20. Str03041

    21. Ab7005

    22. Nsc 76074

    23. Nsc-76074

    24. Akos005146507

    25. Ac-7172

    26. Cs-w019859

    27. Diethyl Aminomalonate Hydrochloride Salt

    28. Diethyl Aminopropanedioate Hydrochloride

    29. Diethyl Aminomalonate Hydrochloride, 98%

    30. Sy004552

    31. Aminomalonic Acid Diethyl Ester Hyrochloride

    32. Db-029658

    33. Ft-0622291

    34. (1,3-diethoxy-1,3-dioxopropan-2-yl)azanium;chloride

    35. F0001-0451

    36. Z212046208

    37. Diethyl 2-aminomalonate Hydrochloride;aminomalonic Acid Diethyl Ester Hydrochloride

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 211.64 g/mol
    Molecular Formula C7H14ClNO4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass211.0611356 g/mol
    Monoisotopic Mass211.0611356 g/mol
    Topological Polar Surface Area78.6 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity151
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2