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    Technical details about CAS 29840-65-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 29840-65-1

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    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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    2D Structure
    1. Also known as: 29840-65-1, 7-amino-heptanoic acid ethyl ester hydrochloride, 7-aminoheptanoic acid ethyl ester hydrochloride, Ethyl 7-aminoheptanoate;hydrochloride, 7-amino-heptanoic acid ethyl ester, hcl, Heptanoic acid, 7-amino-, ethyl ester, hydrochloride
    Molecular Formula
    C9H20ClNO2
    Molecular Weight
    209.71  g/mol
    InChI Key
    UJSRNPWHNTUQEH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 7-aminoheptanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H19NO2.ClH/c1-2-12-9(11)7-5-3-4-6-8-10;/h2-8,10H2,1H3;1H
    2.1.3 InChI Key
    UJSRNPWHNTUQEH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CCCCCCN.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 29840-65-1

    2. 7-amino-heptanoic Acid Ethyl Ester Hydrochloride

    3. 7-aminoheptanoic Acid Ethyl Ester Hydrochloride

    4. Ethyl 7-aminoheptanoate;hydrochloride

    5. 7-amino-heptanoic Acid Ethyl Ester, Hcl

    6. Heptanoic Acid, 7-amino-, Ethyl Ester, Hydrochloride

    7. Mfcd09743977

    8. 7-amino-heptanoic Acid Ethyl Ester Hcl

    9. Ethyl7-aminoheptanoatehydrochloride

    10. Schembl3959012

    11. Dtxsid60509605

    12. Ethyl 7-aminoheptanoate Hcl

    13. Bcp25578

    14. Ethyl 7-aminoheptanoate,hydrochloride

    15. 7-aminoheptanoic Acid Ethyl Ester Hcl

    16. Akos008118631

    17. Ac-1832

    18. Sb66848

    19. Ds-13954

    20. Sy022730

    21. Db-068167

    22. Am20090397

    23. Cs-0028472

    24. Ft-0656951

    25. En300-43301

    26. 840a651

    27. A820071

    28. Ethyl 7-aminoheptanoate--hydrogen Chloride (1/1)

    29. Heptanoic Acid, 7-amino-, Ethyl Ester,hydrochloride (1:1)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 209.71 g/mol
    Molecular Formula C9H20ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass209.1182566 g/mol
    Monoisotopic Mass209.1182566 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity115
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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