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    CAS-2835-68-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2835-68-9, P-aminobenzamide, Benzamide, 4-amino-, 4-amino-benzamide, P-carbamoylaniline, Benzamide, p-amino-
    Molecular Formula
    C7H8N2O
    Molecular Weight
    136.15  g/mol
    InChI Key
    QIKYZXDTTPVVAC-UHFFFAOYSA-N
    FDA UNII
    77722I6PAC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-aminobenzamide
    2.1.2 InChI
    InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
    2.1.3 InChI Key
    QIKYZXDTTPVVAC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)N)N
    2.2 Other Identifiers
    2.2.1 UNII
    77722I6PAC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Para-aminobenzamide

    2.3.2 Depositor-Supplied Synonyms

    1. 2835-68-9

    2. P-aminobenzamide

    3. Benzamide, 4-amino-

    4. 4-amino-benzamide

    5. P-carbamoylaniline

    6. Benzamide, P-amino-

    7. 4-carbamoylaniline

    8. P-aminobenzoic Acid Amide

    9. 4-amino Benzamide

    10. Mfcd00007999

    11. 4-carboxamidoaniline

    12. P-aminobenzenecarboxamide

    13. 4-aminobenzenecarboxamide

    14. (4-aminophenyl)carboxamide

    15. Chembl332444

    16. (4-(aminocarbonyl)phenyl)amine

    17. 77722i6pac

    18. Nsc-36963

    19. Nsc-233920

    20. Ccris 6792

    21. Einecs 220-612-3

    22. Nsc 36963

    23. Nsc 233920

    24. Unii-77722i6pac

    25. Aminobenzamide-4

    26. P-aminobenzylamide

    27. 4-amino-bezamide

    28. P-amino Benzamide

    29. Para Amino Benzamide

    30. 4-oxobedfordiaicacid

    31. 4-aminobenzoyl Amide

    32. 4-aminobenzamide, 98%

    33. Ec 220-612-3

    34. Dsstox_cid_18814

    35. Dsstox_rid_79401

    36. P-aminocarbonylaniline

    37. Dsstox_gsid_38814

    38. Oprea1_069284

    39. Schembl56532

    40. 4-(aminocarbonyl)aniline

    41. Dtxsid7038814

    42. Chebi:182421

    43. Zinc157169

    44. Nsc36963

    45. Tox21_301656

    46. Bbl011581

    47. Bdbm50106190

    48. Nsc233920

    49. Stk291024

    50. Akos000119620

    51. Ac-4411

    52. Am84879

    53. Cs-w017757

    54. Ncgc00255641-01

    55. As-14565

    56. Bp-20138

    57. Sy004554

    58. Cas-2835-68-9

    59. Db-004076

    60. A0631

    61. Ft-0617551

    62. W-107053

    63. Q27266557

    64. F2190-0450

    65. Z1262254357

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 136.15 g/mol
    Molecular Formula C7H8N2O
    XLogP3-0.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area69.1
    Heavy Atom Count10
    Formal Charge0
    Complexity128
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1