4′-Aminobenzo-18-crown-6 is a cyclic compound. It is widely used as an ionophore. It coordinates with metal ions more readily than other ligands because of its planar oxygen atoms which provide a strong negative potential barrier.
Application：
4′-Aminobenzo-18-crown-6 can be easily functionalized with magnetic nanoparticles and used as a solid-phase extraction adsorbent for the determination of Pb2+. It can also be used as a metal complexing agent to prepare a variety of molecular complexes.
| pKa | pKa: 4.62 (Predicted) |
|---|
| Canonical Smiles | C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1 |
|---|---|
| IUPAC Name | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine |
| InChIKey | PZXYILUXRGTFGD-UHFFFAOYSA-N |
| INCHI | 1S/C16H25NO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12,17H2 |
| Isomeric SMILES | C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1 |
| WGK Germany | 3 |
| Molecular Weight | 327.38 |
| Beilstein | 5296463 |
| Reaxy-Rn | 5296463 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5296463&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyl aryl ethers |
| Alternative Parents | Benzenoids Oxacyclic compounds Dialkyl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2619270 | Certificate of Analysis | Mar 02, 2026 | A353518 |
| C2619272 | Certificate of Analysis | Mar 02, 2026 | A353518 |
| C2619273 | Certificate of Analysis | Mar 02, 2026 | A353518 |
| C2619274 | Certificate of Analysis | Mar 02, 2026 | A353518 |
| J2509174 | Certificate of Analysis | Sep 13, 2025 | A353518 |
| J2509175 | Certificate of Analysis | Sep 13, 2025 | A353518 |
| J2509176 | Certificate of Analysis | Sep 13, 2025 | A353518 |
| H2519154 | Certificate of Analysis | Aug 08, 2025 | A353518 |
| H2519155 | Certificate of Analysis | Aug 08, 2025 | A353518 |
| I2411382 | Certificate of Analysis | Sep 04, 2024 | A353518 |
| I2411383 | Certificate of Analysis | Sep 04, 2024 | A353518 |
| I2411401 | Certificate of Analysis | Sep 04, 2024 | A353518 |
| I2411402 | Certificate of Analysis | Sep 04, 2024 | A353518 |
| Sensitivity | Light sensitive；Heat sensitive；Moisture sensitive |
|---|---|
| Refractive Index | n20D1.48 (Predicted) |
| Boil Point(°C) | ~511.9° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 53-58° C |
| Molecular Weight | 327.370 g/mol |
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 327.168 Da |
| Monoisotopic Mass | 327.168 Da |
| Topological Polar Surface Area | 81.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
