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CS-W001157 4
Total: USD 88.00

3-(5-Methyl-1,3,4-oxadiazol-2-yl)aniline

  • CAS No. 122733-40-8

  • Cat. No. CS-0205539
  • Molecule weight175.19
  • Purity95+%
  • MDL No.MFCD11052289

*For research and further manufacturing use only, not for direct human use.

3-(5-Methyl-1,3,4-oxadiazol-2-yl)aniline|CS-0205539

Structure of 122733-40-8

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General Information

  • CAS No. 122733-40-8
  • Cat. No. CS-0205539
  • Purity 95+%
  • MDL No. MFCD11052289
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O
  • Molecular Weight 175.19
  • Synonym(s) 3-(5-Methyl-[1,3,4]oxadiazol-2-yl)-phenylamine
  • SMILES N=1N=C(OC1C=2C=CC=C(N)C2)C

Synthesis

  • Route1
    • 2-Methyl-5-(3-nitrophenyl)-1,3,4-oxadiazole|CS-0702359
      122733-39-5
    • ~%
    • 3-(5-Methyl-1,3,4-oxadiazol-2-yl)aniline|CS-0205539
      122733-40-8

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2007/48771 A1, 2007 ; Location in patent: Page/Page column 55 ; WO 2007/048771 A1
  • Route2
    • null|null
      7439-89-6
    • 2-Methyl-5-(3-nitrophenyl)-1,3,4-oxadiazole|CS-0702359
      122733-39-5
    • ~%
    • 3-(5-Methyl-1,3,4-oxadiazol-2-yl)aniline|CS-0205539
      122733-40-8

    References

    • Warner-Lambert Company Patent: US4824843 A1, 1989 ;
  • Route3

    References

    • JOHNSON and JOHNSON Patent: WO2004/101533 A1, 2004 ; Location in patent: Page 91 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   64.94
  • LogP   1.62722
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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