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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1247119-31-8, (2r,5r)-1,6-diphenylhexane-2,5-diamine 2hcl, (2r,5r)-1,6-diphenylhexane-2,5-diamine;dihydrochloride, (2r,5r)-1,6-diphenylhexane-2,5-diamine hydrochloride, Mfcd28100861, Ec 700-856-1
    Molecular Formula
    C18H26Cl2N2
    Molecular Weight
    341.3  g/mol
    InChI Key
    XTTBTZPGZLVADL-RKDOVGOJSA-N
    CAS 1247119-31-8
    1 2D Structure

    CAS 1247119-31-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,5R)-1,6-diphenylhexane-2,5-diamine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C18H24N2.2ClH/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14,19-20H2;2*1H/t17-,18-;;/m1../s1
    2.1.3 InChI Key
    XTTBTZPGZLVADL-RKDOVGOJSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CC(CCC(CC2=CC=CC=C2)N)N.Cl.Cl
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)C[C@@H](CC[C@H](CC2=CC=CC=C2)N)N.Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1247119-31-8

    2. (2r,5r)-1,6-diphenylhexane-2,5-diamine 2hcl

    3. (2r,5r)-1,6-diphenylhexane-2,5-diamine;dihydrochloride

    4. (2r,5r)-1,6-diphenylhexane-2,5-diamine Hydrochloride

    5. Mfcd28100861

    6. Ec 700-856-1

    7. (r,r)-1,6-diphenylhexane-2,5-diamine Dihydrochloride

    8. Schembl16279671

    9. Amy40480

    10. Ac-28965

    11. As-49751

    12. Cs-0196623

    13. L10004

    14. A854809

    15. J-501003

    16. (2r,5r)-1,6-diphenylhexane-2,5-diaminedihydrochloride

    2.3 Create Date
    2014-04-04
    3 Chemical and Physical Properties
    Molecular Weight 341.3 g/mol
    Molecular Formula C18H26Cl2N2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area52
    Heavy Atom Count22
    Formal Charge0
    Complexity216
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

    BUILDING BLOCK

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