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

CAS: 68941-06-0 Cat. No.: A353518 Peso molecular: 327.38 Beilstein Registry Number: 5296463 Número EC: 636-198-6

GRADE & PURITY ≥98%

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

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Descripción general

4′-Aminobenzo-18-crown-6 es un compuesto cíclico. Se utiliza ampliamente como ionóforo. Se coordina con iones metálicos más fácilmente que otros ligandos debido a sus átomos de oxígeno planares que proporcionan una fuerte barrera de potencial negativo.

Aplicación：

4′-Aminobenzo-18-crown-6 puede funcionalizarse fácilmente con nanopartículas magnéticas y utilizarse como adsorbente de extracción en fase sólida para la determinación de Pb2+. También puede utilizarse como agente complejante de metales para preparar diversos complejos moleculares.

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Propiedades del producto

• pKa: pKa: 4.62 (Predicted)

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1
• WGK Alemania: 3
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Data sources

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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Heat sensitive；Moisture sensitive
• Índice de refracción: n20D1.48 (Predicted)
• Punto de ebullición (°C): ~511.9° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 53-58° C
• Peso molecular: 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