N,N'-Dibenzyl-4,13-diaza-18-crown 6-Ether - ≥98% , CAS No.69703-25-9

CAS: 69703-25-9 Cat. No.: N159493 Peso molecular: 442.6 Beilstein Registry Number: 1044800 Número EC: 622-136-5

GRADE & PURITY ≥98%

Synonyms

FT-0629334 | N,N'-Dibenzyl-4,13-diaza-18-crwn 6-ether | N,N-Dibenzyl-4,13-diaza-18-crown 6-Ether , | STL357203 | N,N'-Dibenzyl-4,13-diaza-18-crown 6-Ether | N,N'-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane | 7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane can be used:

As a macrocycle that facilitates the modification of the electrode used in the estimation of riboflavin or vitamin B2 in food and pharmaceutical samples.

As an ionophore in the preparation of poly(vinyl chloride) membrane-based Zn2+ sensor applicable in the estimation of Zn in water and drug samples.

To prepare a modified graphite electrode, which is used in the detection of samarium in ores and industrial effluents.

Specifications

Sinónimos

FT-0629334 | N, N'-Dibenzyl-4, 13-diaza-18-crwn 6-ether | N, N-Dibenzyl-4, 13-diaza-18-crown 6-Ether , | STL357203 | N, N'-Dibenzyl-4, 13-diaza-18-crown 6-Ether | N, N'-Dibenzyl-1, 4, 10, 13-tetraoxa-7, 16-diazacyclooctadecane | 7, 16-Dibenzyl-1, 4, 10, 13-tetraoxa-7, 16

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3
• IUPAC Name: 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
• InChIKey: WAHZGOBRKWVALN-UHFFFAOYSA-N
• INCHI: 1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2
• Isómeros SMILES: C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3
• WGK Alemania: 3
• Peso molecular: 442.6
• Beilstein: 1044800
• Reaxy-Rn: 1044804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1044804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Objetivos asociados (humanos)

MCF7 (126967 Activities)

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MIA PaCa-2 (5949 Activities)

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NCI-H460 (60772 Activities)

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HeLa (62764 Activities)

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Objetivos asociados (no humanos)

Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 84 °C
• Peso molecular: 442.600 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 442.283 Da
• Monoisotopic Mass: 442.283 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 382.000
• 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