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    CAS 183322-17-0

    BUILDING BLOCK

    MARKET PLACE

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    2D Structure
    Also known as: 183322-17-0, 2-amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride, Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride, Mfcd18206207, Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate hcl, 2-amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hcl
    Molecular Formula
    C15H24ClNO6
    Molecular Weight
    349.81  g/mol
    InChI Key
    CVAXGYHQKOQSDV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H23NO6.ClH/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;/h9-10H,4-8,16H2,1-3H3;1H
    2.1.3 InChI Key
    CVAXGYHQKOQSDV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC(=C(C=C1N)OCCOC)OCCOC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 183322-17-0

    2. 2-amino-4,5-bis(2-methoxyethoxy)benzoic Acid Ethyl Ester Hydrochloride

    3. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride

    4. Mfcd18206207

    5. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hcl

    6. 2-amino-4,5-bis(2-methoxyethoxy)benzoic Acid Ethyl Ester Hcl

    7. Erlotinib Impurity 7

    8. Dtxsid20743447

    9. Amy40067

    10. Bcp08821

    11. Akos016005096

    12. Ds-4013

    13. Sb83278

    14. Benzoic Acid, 2-amino-4,5-bis(2-methoxyethoxy)-, Ethyl Ester, Hydrochloride (1:1)

    15. Ac-29001

    16. Sy112986

    17. Cs-0151784

    18. Ft-0689799

    19. F16086

    20. A851334

    21. Ethyl2-amino-4,5-bis(2-methoxyethoxy)benzoatehydrochloride

    22. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)-benzoate Hydrochloride

    23. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate,hydrochloride

    24. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hydrochloride (1:1)

    25. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate--hydrogen Chloride (1/1)

    26. Ethyl 4,5-bis(2-methoxyethoxy)-2-aminobenzoate Hydrochloride;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hydrochloride

    2.3 Create Date
    2013-02-18
    3 Chemical and Physical Properties
    Molecular Weight 349.81 g/mol
    Molecular Formula C15H24ClNO6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count11
    Exact Mass349.1292152 g/mol
    Monoisotopic Mass349.1292152 g/mol
    Topological Polar Surface Area89.2 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity314
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2