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CS-W001157 4
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4-Amino-1H-indole-6-carbonitrile

  • CAS No. 885518-39-8

  • Cat. No. CS-0131075
  • Molecule weight157.17
  • Purity≥98%
  • MDL No.MFCD07357293

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

4-Amino-1H-indole-6-carbonitrile|CS-0131075

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General Information

  • CAS No. 885518-39-8
  • Cat. No. CS-0131075
  • Purity ≥98%
  • MDL No. MFCD07357293
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃
  • Molecular Weight 157.17
  • Synonym(s) 1H-Indole-6-carbonitrile,4-amino-(9CI)
  • SMILES N#CC1=CC2=C(C(N)=C1)C=CN2

Description

4-Amino-1H-indole-6-carbonitrile features a conjugated indole scaffold bearing an electron-rich amino group and a strongly electron-withdrawing nitrile at the 6-position, enabling diverse synthetic transformations. This bifunctional architecture supports efficient coupling reactions and facilitates access to advanced heterocyclic scaffolds in medicinal chemistry and materials science applications.

Application

4-Amino-1H-indole-6-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to indole-based scaffolds through standard coupling and cyclization protocols. The molecule exhibits robust bench stability and compatibility with diverse reaction conditions, facilitating functional group interconversions in medicinal chemistry campaigns. Its dual amino and nitrile functionalities support orthogonal transformations, enhancing utility in the construction of complex molecular architectures.

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

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Computational Chemistry Data

  • TPSA   65.6
  • LogP   1.62178
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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