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    CAS 641571-11-1
    Also known as: 641571-11-1, 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Benzenamine, 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)-, 3-(4-methyl-1h-imidazol-1-yl)-5-trifluoromethylaniline, 5lli0q7app, 1-(3-amino-5-trifluoromethylphenyl)-4-methylimidazole
    Molecular Formula
    C11H10F3N3
    Molecular Weight
    241.21  g/mol
    InChI Key
    WWTGXYAJVXKEKL-UHFFFAOYSA-N
    FDA UNII
    5LLI0Q7APP
    1 2D Structure

    CAS 641571-11-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
    2.1.2 InChI
    InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
    2.1.3 InChI Key
    WWTGXYAJVXKEKL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    5LLI0Q7APP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 641571-11-1

    2. 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline

    3. Benzenamine, 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)-

    4. 3-(4-methyl-1h-imidazol-1-yl)-5-trifluoromethylaniline

    5. 5lli0q7app

    6. 1-(3-amino-5-trifluoromethylphenyl)-4-methylimidazole

    7. Mfcd11846236

    8. 3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)aniline

    9. 3-(4-methyl-1h-imidazole-1-yl)-5-(trifluoromethyl)aniline

    10. 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)benzenamine

    11. 3-(trifluoromethyl)-5-(4-methyl-1h-imidazol-1-yl)benzenamine

    12. Nilotinib Impurity A

    13. Unii-5lli0q7app

    14. Ec 688-269-6

    15. Schembl589390

    16. Schembl1505804

    17. Dtxsid10475604

    18. Bcp04529

    19. Zinc84397771

    20. Akos015842181

    21. Ac-8508

    22. Cs-w019667

    23. Gs-4414

    24. Mb10071

    25. Sy015266

    26. A8805

    27. Am20090650

    28. Ft-0655008

    29. M2634

    30. Nilotinib Related Compound A [usp-rs]

    31. 571m111

    32. Q-101351

    33. 1-[3-amino-5-(trifluoromethyl)phenyl]-4-methylimidazole

    34. 3-(4-methylimidazol-1-yl)-5-trifluoromethyl-phenylamine

    35. 3-(4-methylimidazol-1-yl)-5-trifluoromethylphenylamine

    36. 3-(4-methyl-1h-imidazol-1yl)-5-(trifluoromethyl)aniline

    37. 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl) Aniline ?

    38. 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)-benzenamine

    39. 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)benzeneamine

    40. 5-(4-methyl-1h-imidazol-1-yl)-3-(trifluoromethyl)-benzenamine

    41. 5-(4-methyl-1h-imidazol-1-yl)-3-trifluoromethyl-phenylamine

    42. 3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenylamine

    43. Nilotinib Hydrochloride Monohydrate Impurity A [ep Impurity]

    44. Benzenamine, 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)

    2.4 Create Date
    2007-02-05
    3 Chemical and Physical Properties
    Molecular Weight 241.21 g/mol
    Molecular Formula C11H10F3N3
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass241.08268182 g/mol
    Monoisotopic Mass241.08268182 g/mol
    Topological Polar Surface Area43.8 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity269
    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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    HUNAN OUYA BIOLOGICAL CO.,LTD

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      Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufac...
      Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufacturer with integrated R&D, production and individual sale. Ouya Biological Company has consecutively been identified as Scientific Innovation Enterprise by National Ministry of Science, High and New-Technology Enterprise by Hunan Province and one of Three-hundred Stars Enterprises by Changsha city. Our products have formed the five series step by step, it as the following: 1)Anti-tumor; 2)Anti-cardiovascular; 3)Anti-biotic; 4)Anti-migraine;5)Anti-HBV
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        Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
        Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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          Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
          Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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          Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food a...
          Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food additives. Meanwhile, it is assisting global pharmaceutical companies to get the domestic registration of their finished dosage for their international expansion. Our USFDA approved products Flumazenil, Granisetron HCl, Granisetron Base, Docetaxel Anhydrous, Irinotecan HCl, Dasatinib Monohydrate, Oxaliplatin and Temozolomide have been recognized by our customers globally. In addition, our Amisulpride API acquired CEP, UK GMP & USDMF.
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