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    Chemistry

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    Also known as: 938146-50-0, Schembl6847339, Albb-012501, Stl138372, Akos005173628, 2-(4-methylpiperazin-1-yl)propanoicacid
    Molecular Formula
    C8H16N2O2
    Molecular Weight
    172.22  g/mol
    InChI Key
    LZRLSYGKEOASIP-UHFFFAOYSA-N
    CAS 938146-50-0
    1 2D Structure

    CAS 938146-50-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-methylpiperazin-1-yl)propanoic acid
    2.1.2 InChI
    InChI=1S/C8H16N2O2/c1-7(8(11)12)10-5-3-9(2)4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
    2.1.3 InChI Key
    LZRLSYGKEOASIP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)O)N1CCN(CC1)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 938146-50-0

    2. Schembl6847339

    3. Albb-012501

    4. Stl138372

    5. Akos005173628

    6. 2-(4-methylpiperazin-1-yl)propanoicacid

    7. Ab01006902-01

    8. 1-piperazineacetic Acid, Alpha,4-dimethyl-, Dihydrochloride

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 172.22 g/mol
    Molecular Formula C8H16N2O2
    XLogP3-2.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass172.121177757 g/mol
    Monoisotopic Mass172.121177757 g/mol
    Topological Polar Surface Area43.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity164
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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