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    Chemistry

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    Also known as: 1431697-94-7, 7-chloro-5-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine;hydrochloride, 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine hydrochloride, 8-chloro-1-methyl-2,3,4,5-tetrahydro-1h-benzo[d]azepine (hydrochloride), Schembl1954700, Bcp34511
    Molecular Formula
    C11H15Cl2N
    Molecular Weight
    232.15  g/mol
    InChI Key
    ITIHHRMYZPNGRC-UHFFFAOYSA-N
    CAS 1431697-94-7
    1 2D Structure

    CAS 1431697-94-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H
    2.1.3 InChI Key
    ITIHHRMYZPNGRC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CNCCC2=C1C=C(C=C2)Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1431697-94-7

    2. 7-chloro-5-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine;hydrochloride

    3. 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hydrochloride

    4. 8-chloro-1-methyl-2,3,4,5-tetrahydro-1h-benzo[d]azepine (hydrochloride)

    5. Schembl1954700

    6. Bcp34511

    7. Cs-m1649

    8. Cs-m3407

    9. Akos022186457

    10. Ac-28979

    11. Da-33432

    12. 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hcl

    13. Rs Lorcaserin Hydrochloride;dl-lorcaserin Hcl;8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hydrochloride

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 232.15 g/mol
    Molecular Formula C11H15Cl2N
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass231.0581549 g/mol
    Monoisotopic Mass231.0581549 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity172
    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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