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CS-W001157 4
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1-(4-Aminophenyl)cyclopropane-1-carbonitrile

  • CAS No. 108858-86-2

  • Cat. No. CS-0440937
  • Purity≥98%
  • MDL No.None

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

1-(4-Aminophenyl)cyclopropane-1-carbonitrile|CS-0440937

Structure of 108858-86-2

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General Information

  • CAS No. 108858-86-2
  • Cat. No. CS-0440937
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂
  • Molecular Weight 158.20
  • Synonym(s) 1-(4-Aminophenyl)cyclopropanecarbonitrile
  • SMILES C1=C(C=CC(=C1)N)C2(CC2)C#N

Description

1-(4-Aminophenyl)cyclopropane-1-carbonitrile features a rigid cyclopropane ring fused to an aniline moiety, delivering enhanced metabolic stability and conformational restraint. The para-amino and nitrile groups enable strong hydrogen bonding and dipole interactions, facilitating binding to diverse biological targets. This scaffold integrates readily into kinase inhibitors and receptor modulators, offering improved solubility and target engagement under physiological conditions.

Application

1-(4-Aminophenyl)cyclopropane-1-carbonitrile serves as a versatile building block for constructing bioactive heterocycles and pharmaceutical scaffolds. Its cyclopropyl ring imparts conformational rigidity, while the para-aminophenyl and nitrile groups enable diverse functionalization via coupling reactions, electrophilic substitution, and transition-metal-catalyzed transformations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Safety Information

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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+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.82398
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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