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    CAS 586-70-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 586-70-9, 1-(4-methylphenyl)ethanamine, 1-p-tolylethanamine, 1-(p-tolyl)ethylamine, 4-(1-aminoethyl)toluene, Mfcd02177111
    Molecular Formula
    C9H13N
    Molecular Weight
    135.21  g/mol
    InChI Key
    UZDDXUMOXKDXNE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-methylphenyl)ethanamine
    2.1.2 InChI
    InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
    2.1.3 InChI Key
    UZDDXUMOXKDXNE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)C(C)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 586-70-9

    2. 1-(4-methylphenyl)ethanamine

    3. 1-p-tolylethanamine

    4. 1-(p-tolyl)ethylamine

    5. 4-(1-aminoethyl)toluene

    6. Mfcd02177111

    7. (r)-1-p-tolylethanamine

    8. 1-(4-methylphenyl)ethanamine #

    9. 1-p-tolyl-ethylamine

    10. 4-methyl-1-phenylethylamine

    11. Schembl248672

    12. Uzddxumoxkdxne-uhfffaoysa-

    13. Alpha,4-dimethylbenzenemethanamine

    14. Dtxsid501028260

    15. Albb-001514

    16. Stk397312

    17. 1-(4-methylphenyl)ethylamine, 96%

    18. Akos000123390

    19. Akos016051771

    20. Sb75387

    21. Benzenemethanamine, .alpha.,4-dimethyl-

    22. As-31722

    23. Sy002631

    24. 1-(4-methylphenyl)ethylamine 96

    25. Bb 0241909

    26. Cs-0145974

    27. Ft-0605117

    28. Ft-0605288

    29. Ft-0649135

    30. T2505

    31. En300-34032

    32. A18761

    33. A18942

    34. W-203205

    35. 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoicacidmethylester

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 135.21 g/mol
    Molecular Formula C9H13N
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass135.104799419 g/mol
    Monoisotopic Mass135.104799419 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity92.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1