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    Chemistry

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    Also known as: 17316-67-5, Butaphosphan, 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium, [2-(butylamino)propan-2-yl]phosphinic acid, Phosphinic acid, [1-(butylamino)-1-methylethyl]-, 1-(butylamino)-1-methylethyl]-phosphonic acid
    Molecular Formula
    C7H17NO2P+
    Molecular Weight
    178.19  g/mol
    InChI Key
    YHLWPOLSPCBOPC-UHFFFAOYSA-O
    FDA UNII
    3Q2LQ1149L
    Butafosfan
    1 2D Structure

    Butafosfan

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(butylamino)propan-2-yl-hydroxy-oxophosphanium
    2.1.2 InChI
    InChI=1S/C7H16NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8H,4-6H2,1-3H3/p+1
    2.1.3 InChI Key
    YHLWPOLSPCBOPC-UHFFFAOYSA-O
    2.1.4 Canonical SMILES
    CCCCNC(C)(C)[P+](=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    3Q2LQ1149L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(butylamino)propan-2-yl)phosphinic Acid

    2. Butaphosphan

    2.3.2 Depositor-Supplied Synonyms

    1. 17316-67-5

    2. Butaphosphan

    3. 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium

    4. [2-(butylamino)propan-2-yl]phosphinic Acid

    5. Phosphinic Acid, [1-(butylamino)-1-methylethyl]-

    6. 1-(butylamino)-1-methylethyl]-phosphonic Acid

    7. 3q2lq1149l

    8. Ncgc00249608-01

    9. 2-(butylamino)propan-2-ylphosphinic Acid

    10. (1-(butylamino)-1-methylethyl)phosphinic Acid

    11. Butafosfano

    12. Butafosfanum

    13. 1-(butylamino)-1-methylethyl)-phosphonic Acid

    14. Butafosfan [inn:ban]

    15. Sr-01000945191

    16. Butafosfanum [inn-latin]

    17. Butafosfano [inn-spanish]

    18. Butapho

    19. Unii-3q2lq1149l

    20. Einecs 241-341-7

    21. 1-(buylamino-1-methyl)ethylphosphinsaeure

    22. Butafosfan [inn]

    23. Dsstox_cid_28607

    24. Dsstox_rid_82877

    25. Dsstox_gsid_48681

    26. Schembl2110672

    27. Chembl1979022

    28. Dtxsid5048681

    29. Dtxsid00860202

    30. Bcp12944

    31. Tox21_113065

    32. Mfcd00869071

    33. Stl135983

    34. Zinc38322248

    35. Zinc95913251

    36. Akos005746929

    37. Akos015918370

    38. Ncgc00249608-02

    39. As-15854

    40. 2-(butylamino)propan-2-yl)phosphinic Acid

    41. Cas-17316-67-5

    42. Ft-0623297

    43. [1-(butylamino)-1-methyl-ethyl]phosphinic Acid

    44. 316b675

    45. A811490

    46. Phosphinic Acid, (1-(butylamino)-1-methyethyl)-

    47. J-010881

    48. Sr-01000945191-1

    49. Sr-01000945191-2

    50. (2-(butylamino)propan-2-yl)(hydroxy)(oxo)phosphonium

    51. Phosphinic Acid, P-[1-(butylamino)-1-methylethyl]-

    52. Q27257890

    53. 1-( N-butylamino)-1-methylethyl Phosphonous Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 178.19 g/mol
    Molecular Formula C7H17NO2P+
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass178.09969078 g/mol
    Monoisotopic Mass178.09969078 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count11
    Formal Charge1
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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