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1,3,3a1,4,6,7,9-Heptaazaphenalene-2,5,8-triamine

  • CAS No. 1502-47-2

  • Cat. No. CS-0110373
  • Purity≥97%
  • MDL No.MFCD00767872

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

1,3,3a1,4,6,7,9-Heptaazaphenalene-2,5,8-triamine|CS-0110373

Structure of 1502-47-2

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General Information

  • CAS No. 1502-47-2
  • Cat. No. CS-0110373
  • Purity ≥97%
  • MDL No. MFCD00767872
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₁₀
  • Molecular Weight 218.18
  • Synonym(s) 2,5,8-Triamino-1,3,4,6,7,9,9b-heptaazaphenalene
  • SMILES NC1=NC2=NC(N)=NC3=NC(N)=NC(N23)=N1

Description

1,3,3a1,4,6,7,9-Heptaazaphenalene-2,5,8-triamine features a rigid, polycyclic aromatic framework with seven nitrogen atoms strategically positioned to enhance electron delocalization and basicity. The three terminal amine groups enable facile functionalization, making this compound valuable for constructing high-performance organic semiconductors and advanced coordination architectures.

Application

1,3,3a,4,6,7,9-Heptaazaphenalene-2,5,8-triamine serves as a versatile polycyclic nitrogen-rich scaffold for the construction of heterocyclic systems and functional materials. Its seven nitrogen atoms provide multiple sites for derivatization, enabling applications in medicinal chemistry and catalysis. The compound exhibits bench stability and facilitates modular synthesis due to its tolerance of diverse functional groups and compatibility with standard coupling reactions.

Synthesis

  • Route1

    References

    • CASALE CHEMICALS S.A. Patent: WO2005/68440 A1, 2005 ; Location in patent: Page/Page column 7-8 ;
  • Route2

    References

    • Schwarzer, Anke; Boehme, Uwe; Kroke, Edwin Chemistry--A European Journal, 2012 , vol. 18, # 38 p. 12052 - 12058,7
  • Route3
    • null|null
      127099-85-8
    • ~%
    • In-stock
      1,3,3a1,4,6,7,9-Heptaazaphenalene-2,5,8-triamine|CS-0110373
      1502-47-2

    References

    • Juergens, Barbara; Irran, Elisabeth; Senker, Juergen; Kroll, Peter; Mueller, Helen; Schnick, Wolfgang Journal of the American Chemical Society, 2003 , vol. 125, # 34 p. 10288 - 10300

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-P405-P501

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Computational Chemistry Data

  • TPSA   158.64
  • LogP   -1.8635
  • H_Acceptors   10
  • H_Donors   3
  • Rotatable_Bonds   0

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