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    CAS 13325-10-5

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    CAS 13325-10-5
    Also known as: 4-aminobutan-1-ol, 13325-10-5, 4-aminobutanol, 1-butanol, 4-amino-, 4-hdyroxybutylamine, 4-amino-butan-1-ol
    Molecular Formula
    C4H11NO
    Molecular Weight
    89.14  g/mol
    InChI Key
    BLFRQYKZFKYQLO-UHFFFAOYSA-N
    1 2D Structure

    CAS 13325-10-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-aminobutan-1-ol
    2.1.2 InChI
    InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2
    2.1.3 InChI Key
    BLFRQYKZFKYQLO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCO)CN
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 4-aminobutanol

    2.2.2 Depositor-Supplied Synonyms

    1. 4-aminobutan-1-ol

    2. 13325-10-5

    3. 4-aminobutanol

    4. 1-butanol, 4-amino-

    5. 4-hdyroxybutylamine

    6. 4-amino-butan-1-ol

    7. 4-hydroxybutylamine

    8. Mfcd00008230

    9. Butanolamine

    10. 4-amino Butanol

    11. 4-amino-butanol

    12. 4amino-1-butanol

    13. 4-aminobutanol-1

    14. Einecs 236-364-4

    15. 4-amino 1-butanol

    16. 4-aminobutyl Alcohol

    17. 4-hydroxy-butylamine

    18. H-abut(4)-ol

    19. 4-amino-butan-1-o1

    20. 2-(aminoethyl)-ethanol

    21. 1-amino-4-hydroxybutane

    22. Ai3-28710

    23. N-(4-hydroxybutyl)amine

    24. 2-(2-aminoethyl)ethanol

    25. 4-amino-1-butanol, 98%

    26. H2n(ch2)4oh

    27. Nh2(ch2)4oh

    28. H2nch2(ch2)2ch2oh

    29. Dtxsid70158027

    30. Act08231

    31. Amy17788

    32. Bcp18612

    33. Zinc2019709

    34. Ac-034

    35. Bbl102556

    36. Stl556359

    37. Akos002670517

    38. Cs-w002041

    39. Gs-3086

    40. Sb83786

    41. Bp-30241

    42. Bp-31085

    43. Sy001196

    44. Ft-0617430

    45. Ft-0617431

    46. 325a105

    47. A806583

    48. Q63392130

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 89.14 g/mol
    Molecular Formula C4H11NO
    XLogP3-1.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass89.084063974 g/mol
    Monoisotopic Mass89.084063974 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity23.5
    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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