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    Chemistry

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    Also known as: 146993-12-6, Brl 56905, Brl-56905, Dtxsid20932995, 6-amino-6,7,8,9-tetrahydro-5h-carbazole-3-carboxamide;hydrochloride, 1h-carbazole-6-carboxamide, 3-amino-2,3,4,9-tetrahydro-, monohydrochloride
    Molecular Formula
    C13H16ClN3O
    Molecular Weight
    265.74  g/mol
    InChI Key
    OWIOWWPDSOTTNG-UHFFFAOYSA-N
    CAS 146993-12-6
    1 2D Structure

    CAS 146993-12-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C13H15N3O.ClH/c14-8-2-4-12-10(6-8)9-5-7(13(15)17)1-3-11(9)16-12;/h1,3,5,8,16H,2,4,6,14H2,(H2,15,17);1H
    2.1.3 InChI Key
    OWIOWWPDSOTTNG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(CC1N)C3=C(N2)C=CC(=C3)C(=O)N.Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Brl 56905

    2. Brl-56905

    2.2.2 Depositor-Supplied Synonyms

    1. 146993-12-6

    2. Brl 56905

    3. Brl-56905

    4. Dtxsid20932995

    5. 6-amino-6,7,8,9-tetrahydro-5h-carbazole-3-carboxamide;hydrochloride

    6. 1h-carbazole-6-carboxamide, 3-amino-2,3,4,9-tetrahydro-, Monohydrochloride

    7. 3-amino-2,3,4,9-tetrahydro-1h-carbazole-6-carboximidic Acid--hydrogen Chloride (1/1)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 265.74 g/mol
    Molecular Formula C13H16ClN3O
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass265.0981898 g/mol
    Monoisotopic Mass265.0981898 g/mol
    Topological Polar Surface Area84.9 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity320
    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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