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    CAS 119192-10-8

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    CAS 119192-10-8
    Also known as: 119192-10-8, 4-((1h-1,2,4-triazol-1-yl)methyl)aniline, 1-(4-aminobenzyl)-1,2,4-triazole, 4-(1,2,4-triazol-1-ylmethyl)aniline, Benzenamine, 4-(1h-1,2,4-triazol-1-ylmethyl)-, 4-(1h-1,2,4-triazol-1-ylmethyl)benzenamine
    Molecular Formula
    C9H10N4
    Molecular Weight
    174.20  g/mol
    InChI Key
    ZGLQVRIVLWGDNA-UHFFFAOYSA-N
    1 2D Structure

    CAS 119192-10-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(1,2,4-triazol-1-ylmethyl)aniline
    2.1.2 InChI
    InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2
    2.1.3 InChI Key
    ZGLQVRIVLWGDNA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CN2C=NC=N2)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 119192-10-8

    2. 4-((1h-1,2,4-triazol-1-yl)methyl)aniline

    3. 1-(4-aminobenzyl)-1,2,4-triazole

    4. 4-(1,2,4-triazol-1-ylmethyl)aniline

    5. Benzenamine, 4-(1h-1,2,4-triazol-1-ylmethyl)-

    6. 4-(1h-1,2,4-triazol-1-ylmethyl)benzenamine

    7. 4-[1,2,4]triazol-1-ylmethylphenylamine

    8. 4-(1h-1,2,4-triazol-1-yl-methyl)benzenamine

    9. 4-[(1h-1,2,4-triazol-1-yl)methyl]aniline

    10. Mfcd00973306

    11. 4-[1,2,4]triazol-1-ylmethyl-phenylamine

    12. 1-(4-aminobenzyl)-1h-1,2,4-triazole

    13. Schembl264856

    14. Schembl3460891

    15. Dtxsid00356296

    16. Stk347700

    17. Akos000127887

    18. Ac-3463

    19. Cs-w002719

    20. Sy005205

    21. Ts-02410

    22. 1-(4-aminophenyl)methyl-1,2,4-triazole

    23. 4-(1,2,4-triazol-1-yl-methyl)-aniline

    24. 1-(4-aminophenyl) Methyl-1,2,4-triazole

    25. Db-017257

    26. Db-295021

    27. Db-345276

    28. 4-(1h-1,2,4-triazol-1-ylmethyl) Aniline

    29. 4-[1h-1,2,4-triazol-1-yl Methyl]aniline

    30. Am20050533

    31. En300-30834

    32. 4-(1h-1,2,4-triazol-1-ylmethyl)phenylamine

    33. Ar-011/40584933

    34. Q-200423

    35. 4-(1h-1,2,4-triazol-1-ylmethyl)aniline, Aldrichcpr

    36. Z239137448

    37. 4-((1h-1,2,4-triazol-1-yl)methyl)benzenamine;1-(4-aminobenzyl)-1,2,4-triazole

    38. 1092370-48-3

    2.3 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 174.20 g/mol
    Molecular Formula C9H10N4
    XLogP30.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area56.7
    Heavy Atom Count13
    Formal Charge0
    Complexity154
    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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