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    BUILDING BLOCK

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    Chemistry

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    Also known as: 62643-56-5, 7-aminoheptanoic acid hcl, 7-aminoheptanoic acid;hydrochloride, Heptanoic acid, 7-amino-, hydrochloride, Mfcd12405602, 7-aminoheptanoicacidhydrochloride
    Molecular Formula
    C7H16ClNO2
    Molecular Weight
    181.66  g/mol
    InChI Key
    RMYDYIDGGSILID-UHFFFAOYSA-N
    CAS 62643-56-5
    1 2D Structure

    CAS 62643-56-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-aminoheptanoic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H15NO2.ClH/c8-6-4-2-1-3-5-7(9)10;/h1-6,8H2,(H,9,10);1H
    2.1.3 InChI Key
    RMYDYIDGGSILID-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCCN)CCC(=O)O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 62643-56-5

    2. 7-aminoheptanoic Acid Hcl

    3. 7-aminoheptanoic Acid;hydrochloride

    4. Heptanoic Acid, 7-amino-, Hydrochloride

    5. Mfcd12405602

    6. 7-aminoheptanoicacidhydrochloride

    7. Schembl1284064

    8. 7-amino-heptanoic Acid Hydrochloride

    9. Akos015894256

    10. Ac-27015

    11. As-10683

    12. Sy034831

    13. Db-073166

    14. Ft-0698702

    15. F11866

    16. A868415

    17. Q-200560

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 181.66 g/mol
    Molecular Formula C7H16ClNO2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass181.0869564 g/mol
    Monoisotopic Mass181.0869564 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity93.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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