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CS-W001157 4
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(2-(1H-1,2,4-Triazol-1-yl)phenyl)methanamine

  • CAS No. 449756-97-2

  • Cat. No. CS-0207097
  • Molecule weight174.20
  • Purity95+%
  • MDL No.MFCD06617942

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

(2-(1H-1,2,4-Triazol-1-yl)phenyl)methanamine|CS-0207097

Structure of 449756-97-2

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General Information

  • CAS No. 449756-97-2
  • Cat. No. CS-0207097
  • Purity 95+%
  • MDL No. MFCD06617942
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₄
  • Molecular Weight 174.20
  • Synonym(s) Benzenemethanamine,2-(1H-1,2,4-triazol-1-yl)-
  • SMILES C1=CC=C(C(=C1)CN)N2C=NC=N2

Synthesis

  • Route1
    • null|null
      25699-87-0
    • ~97%
    • (2-(1H-1,2,4-Triazol-1-yl)phenyl)methanamine|CS-0207097
      449756-97-2

    References

    • Young, Mary Beth; Barrow, James C.; Glass, Kristen L.; Lundell, George F.; Newton, Christina L.; Pellicore, Janetta M.; Rittle, Kenneth E.; Selnick, Harold G.; Stauffer, Kenneth J.; Vacca, Joseph P.; Williams, Peter D.; Bohn, Dennis; Clayton, Franklin C.; Cook, Jacquelynn J.; Krueger, Julie A.; Kuo, Lawrence C.; Lewis, S. Dale; Lucas, Bobby J.; McMasters, Daniel R.; Miller-Stein, Cynthia; Pietrak, Beth L.; Wallace, Audrey A.; White, Rebecca B.; Wong, Bradley; Yan, Youwei; Nantermet, Philippe G. Journal of Medicinal Chemistry, 2004 , vol. 47, # 12 p. 2995 - 3008
  • Route2
    • null|null
      394-47-8
    • ~%
    • (2-(1H-1,2,4-Triazol-1-yl)phenyl)methanamine|CS-0207097
      449756-97-2

    References

    • Young, Mary Beth; Barrow, James C.; Glass, Kristen L.; Lundell, George F.; Newton, Christina L.; Pellicore, Janetta M.; Rittle, Kenneth E.; Selnick, Harold G.; Stauffer, Kenneth J.; Vacca, Joseph P.; Williams, Peter D.; Bohn, Dennis; Clayton, Franklin C.; Cook, Jacquelynn J.; Krueger, Julie A.; Kuo, Lawrence C.; Lewis, S. Dale; Lucas, Bobby J.; McMasters, Daniel R.; Miller-Stein, Cynthia; Pietrak, Beth L.; Wallace, Audrey A.; White, Rebecca B.; Wong, Bradley; Yan, Youwei; Nantermet, Philippe G. Journal of Medicinal Chemistry, 2004 , vol. 47, # 12 p. 2995 - 3008

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   0.726
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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