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CS-W001157 4
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2-Amino-1H-pyrrole-3-carbonitrile

  • CAS No. 755753-61-8

  • Cat. No. CS-W021539
  • Molecule weight107.11
  • Purity≥97%
  • MDL No.MFCD08236820

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

2-Amino-1H-pyrrole-3-carbonitrile|CS-W021539

Structure of 755753-61-8

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General Information

  • CAS No. 755753-61-8
  • Cat. No. CS-W021539
  • Purity ≥97%
  • MDL No. MFCD08236820
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃
  • Molecular Weight 107.11
  • Synonym(s) 2-amino-3-cyano-1H-pyrrole
  • SMILES N#CC1=C(N)NC=C1

Description

2-Amino-1H-pyrrole-3-carbonitrile features a conjugated pyrrole core bearing an electron-rich amine and a strongly electron-withdrawing nitrile group, enabling its use in cross-coupling reactions and as a building block for heterocyclic libraries. The molecule exhibits enhanced solubility in polar solvents and stability under standard bench conditions.

Application

2-Amino-1H-pyrrole-3-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via standard coupling and functionalization reactions. Its dual amino and nitrile functionalities offer orthogonal reactivity for sequential modifications, while its bench-stable nature facilitates handling and purification in multi-step syntheses. Widely employed in medicinal chemistry and agrochemical research, it functions as a key scaffold for bioactive compound discovery.

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   0.46858
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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