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    CAS 84689-20-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 84689-20-3, 2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile, 94213-24-8, Wz570674rf, (1e)-2,3-dichloro-n-(diaminomethylideneamino)benzenecarboximidoyl cyanide, (2,3-dichlorophenyl)(guanidinylimino)acetonitrile, (e)-
    Molecular Formula
    C9H7Cl2N5
    Molecular Weight
    256.09  g/mol
    InChI Key
    BXDSJOGMJUKSAE-CHHVJCJISA-N
    FDA UNII
    WZ570674RF
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1E)-2,3-dichloro-N-(diaminomethylideneamino)benzenecarboximidoyl cyanide
    2.1.2 InChI
    InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)/b15-7-
    2.1.3 InChI Key
    BXDSJOGMJUKSAE-CHHVJCJISA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)Cl)C(=NN=C(N)N)C#N
    2.1.5 Isomeric SMILES
    C1=CC(=C(C(=C1)Cl)Cl)/C(=N\N=C(N)N)/C#N
    2.2 Other Identifiers
    2.2.1 UNII
    WZ570674RF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (e)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile

    2. 13w80

    2.3.2 Depositor-Supplied Synonyms

    1. 84689-20-3

    2. 2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile

    3. 94213-24-8

    4. Wz570674rf

    5. (1e)-2,3-dichloro-n-(diaminomethylideneamino)benzenecarboximidoyl Cyanide

    6. (2,3-dichlorophenyl)(guanidinylimino)acetonitrile, (e)-

    7. 2-[cyano(2,3-dichlorophenyl)methylene]-hydrazine Carboximidamide

    8. 13w80

    9. (e)-3-(cyano(2,3-dichlorophenyl)methylene)carbazamidine

    10. N'-carbamimidoyl-2,3-dichlorobenzohydrazonoyl Cyanide

    11. Einecs 303-726-9

    12. Unii-501dur70u5

    13. Unii-wz570674rf

    14. (2,3-dichlorophenyl)(guanidinylimino)acetonitrile

    15. 2-[cyano(2,3-dichlorophenyl)methylene]hydrazine Carboximidamide

    16. 501dur70u5

    17. Dtxsid301162145

    18. 94213-23-7

    19. Amy40804

    20. Zinc21986332

    21. Lamotrigine Impurity B [ep Impurity]

    22. 689d203

    23. (z)-(2,3-dichlorophenyl)(guanidinylimino)acetonitrile

    24. 1-(alpha-cyano-2,3-dichlorobenzylideneamino)guanidine

    25. Q27231289

    26. 2-(2,3-dichlorphenyl)-2-(guanidinylimino)acetonitrile

    27. (z)-2-(2,3-dichlorophenyl)-2-(guanidinoimino)acetonitrile

    28. (e)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile

    29. (2e)-2-[cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide

    30. 2-[(e)-cyano(2,3-dichlorophenyl)methylene]hydrazinecarbimide Amide

    31. 2-[(z)-cyano(2,3-dichlorophenyl)methylene]hydrazinecarbimide Amide

    32. (2e)-(2-(diaminomethylidene)diazanylidene)(2,3-dichlorophenyl)acetonitrile

    33. Hydrazinecarboximidamide, 2-(cyano(2,3-dichlorophenyl)methylene)-, (2e)-

    2.4 Create Date
    2006-05-02
    3 Chemical and Physical Properties
    Molecular Weight 256.09 g/mol
    Molecular Formula C9H7Cl2N5
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass255.0078506 g/mol
    Monoisotopic Mass255.0078506 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity352
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1