Benzo-18-crown 6-Ether - ≥96% , CAS No.14098-24-9

CAS: 14098-24-9 Cat. No.: B152139 Summenformel: C₁₆H₂₄O₆ Molekulargewicht: 312.36 Beilstein Registry Number: 1626120 EG-Nummer: 604-215-6

GRADE & PURITY ≥96%

Synonyms

Benzo-18-crown-6, 98% | SY011463 | Benzo-18-crown-6 | 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine | B1539 | J-007438 | 2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine | benzo-18-crown-6 ethe

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

Benzo-18-crown-6, 98% | SY011463 | Benzo-18-crown-6 | 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine | B1539 | J-007438 | 2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine | benzo-18-crown-6 ethe

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

504759372

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759372

Kanonisches Lächeln

C1COCCOCCOC2=CC=CC=C2OCCOCCO1

IUPAC Name

2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene

InChIKey

DSFHXKRFDFROER-UHFFFAOYSA-N

INCHI

1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2

Isomere SMILES

C1COCCOCCOC2=CC=CC=C2OCCOCCO1

WGK Deutschland

3

Molekulargewicht

312.36

Beilstein

1626120

Reaxy-Rn

1626123

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1626123&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Benzenoids Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Schmelzpunkt (°C): 43°C-50°C
• Molekulargewicht: 312.360 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 312.157 Da
• Monoisotopic Mass: 312.157 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 237.000
• 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