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    CAS 115555-77-6

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    CAS 115555-77-6
    Also known as: 115555-77-6, Dibutylaminopropyl chloride, 1-dibutylamino-3-chloropropane hydrochloride, Dibutyl(3-chloropropyl)amine hydrochloride, N-butyl-n-(3-chloropropyl)butan-1-amine;hydrochloride, N-butyl-n-(3-chloropropyl)butan-1-amine (hydrochloride)
    Molecular Formula
    C11H25Cl2N
    Molecular Weight
    242.23  g/mol
    InChI Key
    UURRECHSOADBEG-UHFFFAOYSA-N
    1 2D Structure

    CAS 115555-77-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-butyl-N-(3-chloropropyl)butan-1-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H24ClN.ClH/c1-3-5-9-13(10-6-4-2)11-7-8-12;/h3-11H2,1-2H3;1H
    2.1.3 InChI Key
    UURRECHSOADBEG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCN(CCCC)CCCCl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 115555-77-6

    2. Dibutylaminopropyl Chloride

    3. 1-dibutylamino-3-chloropropane Hydrochloride

    4. Dibutyl(3-chloropropyl)amine Hydrochloride

    5. N-butyl-n-(3-chloropropyl)butan-1-amine;hydrochloride

    6. N-butyl-n-(3-chloropropyl)butan-1-amine (hydrochloride)

    7. 3-(dibutylamino)propyl Chloride Hydrochloride (dbpc.hcl)

    8. Dibutylaminopropylchloride

    9. Ec 601-371-7

    10. Schembl6139434

    11. Dtxsid30626717

    12. 1-dibutylamino-3-chloropropane Hcl

    13. Amy40879

    14. Dibutylamino Propylchloride Hcl Salt

    15. Akos015901818

    16. Dibutylaminopropyl Chloride Hydrochloride

    17. Db-060738

    18. Ft-0696061

    19. En300-65351

    20. N-butyl-n-(3-chloropropyl)-1-butanamine Hcl

    21. 259d383

    22. A893854

    23. N-(3-chloropropyl)-n,n-dibutylamine Hydrochloride

    24. 1-chloro-3-(di-n-butylamino)-propane Hydrochloride

    25. N-butyl-n-(3-chloropropyl)-1-butanamine Hydrochloride

    26. N-butyl-n-(3-chloropropyl)butan-1-amine--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 242.23 g/mol
    Molecular Formula C11H25Cl2N
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count9
    Exact Mass241.1364052 g/mol
    Monoisotopic Mass241.1364052 g/mol
    Topological Polar Surface Area3.2 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity88.1
    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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