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    CAS 63720-38-7

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    CAS 63720-38-7
    Also known as: 63720-38-7, Phenol, 3-[(1r)-1-aminoethyl]-, 518060-42-9, B-hydroxyphenylethylamine, 3-(1-amino-ethyl)-phenol, Schembl43453
    Molecular Formula
    C8H11NO
    Molecular Weight
    137.18  g/mol
    InChI Key
    WFRNDUQAIZJRPZ-UHFFFAOYSA-N
    1 2D Structure

    CAS 63720-38-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(1-aminoethyl)phenol
    2.1.2 InChI
    InChI=1S/C8H11NO/c1-6(9)7-3-2-4-8(10)5-7/h2-6,10H,9H2,1H3
    2.1.3 InChI Key
    WFRNDUQAIZJRPZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC(=CC=C1)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 63720-38-7

    2. Phenol, 3-[(1r)-1-aminoethyl]-

    3. 518060-42-9

    4. B-hydroxyphenylethylamine

    5. 3-(1-amino-ethyl)-phenol

    6. Schembl43453

    7. Schembl410862

    8. 1-(3-hydroxyphenyl)ethylamine

    9. 3-[(1)-1-aminoethyl]phenol

    10. Albb-019157

    11. Cs-m0013

    12. 3-(1-aminoethyl)phenol, Aldrichcpr

    13. Bbl023566

    14. Stl069465

    15. Akos000130192

    16. Ab21156

    17. Cs-14148

    18. Phenol, 3-(1-aminoethyl)-, Hydrochloride

    19. Db-013449

    20. Bb 0255227

    21. Ft-0715061

    22. En300-58109

    23. N12887

    24. J-502194

    25. J-502434

    26. J-510418

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 137.18 g/mol
    Molecular Formula C8H11NO
    XLogP30.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass137.084063974 g/mol
    Monoisotopic Mass137.084063974 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity105
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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