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    Technical details about CAS 953789-37-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 953789-37-2

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 953789-37-2, 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane hydrochloride, 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride, 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane, 4-chloro-n-(2-chloropropyl)benzeneethanamine hydrochloride, 2-chloro-n-(4-chlorophenethyl)-propan-1-amine hydrochloride
    Molecular Formula
    C11H16Cl3N
    Molecular Weight
    268.6  g/mol
    InChI Key
    ARSNVFGYXNWTPK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-N-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H15Cl2N.ClH/c1-9(12)8-14-7-6-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
    2.1.3 InChI Key
    ARSNVFGYXNWTPK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CNCCC1=CC=C(C=C1)Cl)Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 953789-37-2

    2. 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane Hydrochloride

    3. 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride

    4. 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane

    5. 4-chloro-n-(2-chloropropyl)benzeneethanamine Hydrochloride

    6. 2-chloro-n-(4-chlorophenethyl)-propan-1-amine Hydrochloride

    7. Lorcaserin Impurity B

    8. Schembl174859

    9. Dtxsid30657920

    10. [2-(chloro-phenyl)-ethyl]-(2-chloro-propyl)-ammonium Chloride

    11. Amy40342

    12. Bcp13020

    13. Cs-m1648

    14. Benzeneethanamine,4-chloro-n-(2-chloropropyl)-, Hydrochloride (1:1)

    15. Akos016000246

    16. Ac-28980

    17. Cs-13191

    18. Db-116034

    19. N-(4-chlorophenethyl)-2-chloropropan-1-amine

    20. 789c372

    21. A855153

    22. 1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane Hcl

    23. 2-chloro-n-(4-chlorophenethyl)propan-1-amine Hcl

    24. Benzeneethanamine,4-chloro-n-(2-chloropropyl)-,hydrochloride

    25. 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine--hydrogen Chloride (1/1)

    2.3 Create Date
    2009-10-07
    3 Chemical and Physical Properties
    Molecular Weight 268.6 g/mol
    Molecular Formula C11H16Cl3N
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count5
    Exact Mass267.034833 g/mol
    Monoisotopic Mass267.034833 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity144
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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