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CS-W001157 4
Total: USD 88.00

3-[(1h-1,2,4-triazol-1-yl)methyl]aniline

  • CAS No. 127988-22-1

  • Cat. No. CS-0216496
  • Molecule weight174.20
  • Purity95+%
  • MDL No.None

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

3-[(1h-1,2,4-triazol-1-yl)methyl]aniline|CS-0216496

Structure of 127988-22-1

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General Information

  • CAS No. 127988-22-1
  • Cat. No. CS-0216496
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₄
  • Molecular Weight 174.20
  • Synonym(s) 3-(1H-1,2,4-triazol-1-ylmethyl)aniline
  • SMILES C1=CC(=CC(=C1)N)CN2C=NC=N2

Synthesis

  • Route1
    • null|null
      127988-20-9
    • ~82%
    • 3-[(1h-1,2,4-triazol-1-yl)methyl]aniline|CS-0216496
      127988-22-1

    References

    • AURIGENE DISCOVERY TECHNOLOGIES LIMITED; SENGUPTA, Saumitra; RAJAGOPALAN, Srinivasan; BELAVAGI, Ningaraddi; RAMACHANDRA, Muralidhara Patent: WO2012/59932 A1, 2012 ; Location in patent: Page/Page column 153 ; WO 2012/059932 A1
  • Route2

    References

    • European Journal of Medicinal Chemistry, , vol. 24, # 5 p. 537 - 540
  • Route3
    • null|null
      127988-18-5
    • ~%
    • 3-[(1h-1,2,4-triazol-1-yl)methyl]aniline|CS-0216496
      127988-22-1

    References

    • European Journal of Medicinal Chemistry, , vol. 24, # 5 p. 537 - 540

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.73
  • LogP   0.9086
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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