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CS-W001157 4
Total: USD 88.00

3,4-Diaminobenzimidamide

  • CAS No. 68827-43-0

  • Cat. No. CS-W021792
  • Purity≥97%
  • MDL No.MFCD08751343

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

3,4-Diaminobenzimidamide|CS-W021792

Structure of 68827-43-0

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General Information

  • CAS No. 68827-43-0
  • Cat. No. CS-W021792
  • Purity ≥97%
  • MDL No. MFCD08751343
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₄
  • Molecular Weight 150.18
  • Synonym(s) 4-Amidino-1,2-phenylenediamine
  • SMILES NC(=N)C1=CC(N)=C(N)C=C1

Description

3,4-Diaminobenzimidamide delivers a highly functionalized core for medicinal chemistry applications, featuring two primary amine groups positioned ortho to a central imidazole ring. This arrangement enables direct incorporation into heterocyclic scaffolds and facilitates derivatization under mild conditions. The compound exhibits excellent solubility in polar solvents and stability under standard bench handling protocols.

Application

3,4-Diaminobenzimidamide serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through straightforward cyclization and coupling reactions. Its dual amine functionality offers excellent reactivity for derivatization, while maintaining bench stability and compatibility with common protecting group strategies. The compound facilitates rapid access to imidazole-based pharmacophores relevant to kinase inhibitors and antiviral agents.

Synthesis

  • Route1
    • null|null
      148344-28-9
    • ~95%
    • In-stock
      3,4-Diaminobenzimidamide|CS-W021792
      68827-43-0

    References

    • Journal of Medicinal Chemistry, , vol. 36, # 12 p. 1746 - 1753
  • Route2
    • Methyl 4-amino-3-nitrobenzimidate|CS-0902514
      777833-25-7
    • ~%
    • In-stock
      3,4-Diaminobenzimidamide|CS-W021792
      68827-43-0

    References

    • Journal of Medicinal Chemistry, , vol. 36, # 12 p. 1746 - 1753
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 36, # 12 p. 1746 - 1753

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   101.91
  • LogP   0.13507
  • H_Acceptors   3
  • H_Donors   4
  • Rotatable_Bonds   1

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