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CS-W001157 4
Total: USD 88.00

5-Cyano-4-aminoimidazole

  • CAS No. 5098-11-3

  • Cat. No. CS-W008640
  • Purity≥97%
  • MDL No.MFCD00129663

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

5-Cyano-4-aminoimidazole|CS-W008640

Structure of 5098-11-3

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General Information

  • CAS No. 5098-11-3
  • Cat. No. CS-W008640
  • Purity ≥97%
  • MDL No. MFCD00129663
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₄
  • Molecular Weight 108.10
  • Synonym(s) 4-Aminoimidazole-5-carbonitrile; 5-Amino-4-cyanoimidazole; 5-Amino-4-imidazolecarbonitrile; 5-Amino-1H-imidazole-4-carbonitrile
  • SMILES N#CC1=C(N)NC=N1

Description

5-Cyano-4-aminoimidazole integrates a cyano group and an amino functionality within an imidazole scaffold, enabling versatile conjugation and metal coordination. This bench-stable heterocycle serves as a key intermediate in the synthesis of bioactive molecules and functional materials, offering enhanced solubility and reactivity under standard conditions.

Application

5-Cyano-4-aminoimidazole serves as a versatile building block in heterocyclic synthesis, enabling efficient access to purine and imidazopyrimidine scaffolds. Its dual functional groups—cyano and amino—offer orthogonal reactivity for selective derivatization, while the molecule exhibits excellent bench stability and ease of purification. Functions as a key intermediate in medicinal chemistry campaigns targeting kinase inhibitors and nucleoside analogs.

Synthesis

  • Route1
    • In-stock
      Diaminomaleonitrile|CS-0014097
      1187-42-4
    • null|null
      149-73-5
    • ~%
    • In-stock
      5-Cyano-4-aminoimidazole|CS-W008640
      5098-11-3
    • In-stock
      5-Cyano-4-aminoimidazole|CS-W008640
      5098-11-3

    References

    • EP2138480 A1, ; Page/Page column 15-16 ;
  • Route2
    • null|null
      71749-37-6
    • null|null
      81693-59-6
    • ~%
    • In-stock
      5-Cyano-4-aminoimidazole|CS-W008640
      5098-11-3
    • In-stock
      5-Cyano-4-aminoimidazole|CS-W008640
      5098-11-3

    References

    • EP2138480 A1, ; Page/Page column 15 ;
  • Route3
    • null|null
      71749-37-6
    • ~%
    • In-stock
      4,5-Dicyanoimidazole|CS-W001962
      1122-28-7
    • null|null
      1314916-41-0
    • In-stock
      5-Cyano-4-aminoimidazole|CS-W008640
      5098-11-3
    • In-stock
      5-Cyano-4-aminoimidazole|CS-W008640
      5098-11-3

    References

    • EP2138480 A1, ; Page/Page column 16 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3335
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.49
  • LogP   -0.13642
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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