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    CAS 312753-53-0 manufacturers and suppliers on PharmaCompass

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    4CH-011619

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    4CH-011619
    Also known as: 312753-53-0, 5,6-diethylindan-1-one, 5,6-diethyl-2,3-dihydro-1h-inden-2-amine;hydrochloride, 5,6-diethyl-2,3-dihydro-1h-inden-2-amine, hcl, Mfcd13185940, 2-amino-5,6-diethyl-2,3-dihydro-1h-indene hcl
    Molecular Formula
    C13H20ClN
    Molecular Weight
    225.76  g/mol
    InChI Key
    ZOVIYWYFBOQKIA-UHFFFAOYSA-N
    1 2D Structure

    4CH-011619

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,6-diethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C13H19N.ClH/c1-3-9-5-11-7-13(14)8-12(11)6-10(9)4-2;/h5-6,13H,3-4,7-8,14H2,1-2H3;1H
    2.1.3 InChI Key
    ZOVIYWYFBOQKIA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=C(C=C2CC(CC2=C1)N)CC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 312753-53-0

    2. 5,6-diethylindan-1-one

    3. 5,6-diethyl-2,3-dihydro-1h-inden-2-amine;hydrochloride

    4. 5,6-diethyl-2,3-dihydro-1h-inden-2-amine, Hcl

    5. Mfcd13185940

    6. 2-amino-5,6-diethyl-2,3-dihydro-1h-indene Hcl

    7. 2-amino-5,6-diethylindane Hydrochloride

    8. Schembl866127

    9. 5,6-diethyl-2,3-dihydro-1h-inden-2-aminehydrochloride

    10. Dtxsid30437042

    11. Bcp04728

    12. Akos015924667

    13. Cs-w020205

    14. Sb18035

    15. Ac-24698

    16. Da-18293

    17. Ds-17728

    18. Sy107784

    19. 5,6-diethyl-indan-2-ylamine Hydrochloride

    20. Ft-0686954

    21. 5,6-diethyl-2,3-dihydro-1h-inden-2-amine Hcl

    22. 753d530

    23. A846477

    24. J-516521

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 225.76 g/mol
    Molecular Formula C13H20ClN
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass225.1284273 g/mol
    Monoisotopic Mass225.1284273 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity170
    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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