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    Benzodiazepine

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    $ API Ref.Price (USD/KG) : 730Xls

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    2D Structure
    Also known as: 1h-1,2-benzodiazepine, 1,2-benzodiazepine, 12794-10-4, Benzo diazepine, M0q7802g2b, Benzodiazepin
    Molecular Formula
    C9H8N2
    Molecular Weight
    144.17  g/mol
    InChI Key
    SVUOLADPCWQTTE-UHFFFAOYSA-N
    FDA UNII
    M0Q7802G2B
    A group of two-ring heterocyclic compounds consisting of a benzene ring fused to a diazepine ring.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1H-1,2-benzodiazepine
    2.1.2 InChI
    InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H
    2.1.3 InChI Key
    SVUOLADPCWQTTE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=CC=NN2
    2.2 Other Identifiers
    2.2.1 UNII
    M0Q7802G2B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzodiazepine Compounds

    2. Benzodiazepines

    2.3.2 Depositor-Supplied Synonyms

    1. 1h-1,2-benzodiazepine

    2. 1,2-benzodiazepine

    3. 12794-10-4

    4. Benzo Diazepine

    5. M0q7802g2b

    6. Benzodiazepin

    7. 264-60-8

    8. Benzodiazapine

    9. Unii-m0q7802g2b

    10. Schembl8137

    11. Chembl4297264

    12. Dtxsid90155730

    13. Db12537

    14. Q27283309

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 144.17 g/mol
    Molecular Formula C9H8N2
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass144.068748264 g/mol
    Monoisotopic Mass144.068748264 g/mol
    Topological Polar Surface Area24.4 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity184
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1