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CS-W001157 4
Total: USD 88.00

4-Aminobenzo-12-crown-4

  • CAS No. 78554-68-4

  • Cat. No. CS-M2688
  • Purity≥98%
  • MDL No.MFCD00205002

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

4-Aminobenzo-12-crown-4|CS-M2688

Structure of 78554-68-4

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General Information

  • CAS No. 78554-68-4
  • Cat. No. CS-M2688
  • Purity ≥98%
  • MDL No. MFCD00205002
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO₄
  • Molecular Weight 239.27
  • Synonym(s) None
  • SMILES NC1=CC2=C(C=C1)OCCOCCOCCO2

Description

4-Aminobenzo-12-crown-4 features a para-amino group appended to a 12-crown-4 ether framework, enhancing its affinity for alkali metal ions. The amino functionality introduces hydrogen-bonding capability and modulates solubility in polar solvents. This crown ether integrates readily into ion-selective systems and facilitates complexation under mild conditions.

Application

4-Aminobenzo-12-crown-4 serves as a versatile bifunctional ligand, combining a primary amine with a 12-crown-4 ether cavity to enable selective complexation of alkali metal cations while providing a reactive handle for further conjugation. Its bench-stable nature and compatibility with standard amine transformations make it suitable for use in supramolecular synthesis, functionalized ionophores, and the construction of responsive 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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   62.94
  • LogP   1.0732
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   0

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