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    Technical details about CAS 4048-33-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 4048-33-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 6-aminohexan-1-ol, 4048-33-3, 1-hexanol, 6-amino-, 6-aminohexanol, 1-amino-6-hexanol, 6-hydroxyhexylamine
    Molecular Formula
    C6H15NO
    Molecular Weight
    117.19  g/mol
    InChI Key
    SUTWPJHCRAITLU-UHFFFAOYSA-N
    FDA UNII
    I5BY7TMO6C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-aminohexan-1-ol
    2.1.2 InChI
    InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
    2.1.3 InChI Key
    SUTWPJHCRAITLU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCCO)CCN
    2.2 Other Identifiers
    2.2.1 UNII
    I5BY7TMO6C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 6-aminohexan-1-ol

    2. 4048-33-3

    3. 1-hexanol, 6-amino-

    4. 6-aminohexanol

    5. 1-amino-6-hexanol

    6. 6-hydroxyhexylamine

    7. Aminohexyl Alcohol

    8. Hexanol, 6-amino-

    9. Amidohexylalkohol

    10. 6-aminohexyl Alcohol

    11. Mfcd00008241

    12. Nsc 91538

    13. 6-amino-hexan-1-ol

    14. I5by7tmo6c

    15. Nsc-91538

    16. Amidohexylalkohol [german]

    17. 6-hydroxy-1-hexylamine

    18. Einecs 223-748-1

    19. Brn 1732524

    20. 6-hexanolamine

    21. 6 -aminohexanol

    22. 6-amino Hexanol

    23. Aminohexan-6-ol

    24. Nsc91538

    25. 1-amino-6-hydroxyhexane

    26. Unii-i5by7tmo6c

    27. Schembl16441

    28. 4-04-00-01785 (beilstein Handbook Reference)

    29. 6-amino-1-hexanol, 97%

    30. Nh2(ch2)6oh

    31. H2nch2(ch2)4ch2oh

    32. 6-hydroxy-1-hexanamine

    33. Dtxsid9075242

    34. Act03094

    35. Amy18359

    36. Str06991

    37. Zinc1592422

    38. Bbl103013

    39. Stl556822

    40. Akos002670881

    41. Cs-w007957

    42. 1189994-89-5

    43. Bp-20654

    44. Bp-31169

    45. Sy003099

    46. Db-049599

    47. Bb 0253240

    48. Ft-0620902

    49. Rac 5-hydroxy Valproic Acid-d7 Sodium Salt

    50. 6-amino-1-hexanol, Purum, >=97.0% (nt)

    51. A825127

    52. J-518246

    53. Q27456295

    54. F2191-0273

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 117.19 g/mol
    Molecular Formula C6H15NO
    XLogP30
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass117.115364102 g/mol
    Monoisotopic Mass117.115364102 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity39.5
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1