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4′-Aminobenzo-18-crown-6 - 98%, high purity , CAS No.68941-06-0

COA

Grade & Purity:

≥98%

Cas Number: 68941-06-0
Molecular Weight: 327.38
Beilstein Registry Number: 5296463
PubChem CID: 2724802

In stock

Item Number

A353518

Grouped product items
SKU	Size	Availability	Price	Qty
A353518-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
A353518-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90

View related series

Crown ether (7) Supramolecular host materials (5)

Basic Description

Synonyms	SR-01000390241-1 \| SCHEMBL1247565 \| DTXSID80942732 \| AKOS001586895 \| 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine \| STL089790 \| A922906 \| STR04409 \| 2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacy
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
INCHI	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
InChIKey	PZXYILUXRGTFGD-UHFFFAOYSA-N
Smiles	C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
I2411382	Certificate of Analysis	Sep 04, 2024	A353518
I2411401	Certificate of Analysis	Sep 04, 2024	A353518
I2411402	Certificate of Analysis	Sep 04, 2024	A353518
I2411383	Certificate of Analysis	Sep 04, 2024	A353518

Chemical and Physical Properties

Sensitivity	Light sensitive；Heat 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 Å²
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

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