Benzo-15-crown-5 - ≥98% , CAS No.14098-44-3

CAS: 14098-44-3 Cat. No.: B111880 Formula: C₁₄H₂₀O₅ Peso molecolare: 268.31 Beilstein Registry Number: 1624106 Numero EC: 237-947-6

QUALITÀ & PUREZZA ≥98%

Synonyms

Benzo-15-crown-5(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin)|Monobenzo-15-crown-5|2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin|2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene|Benzo-15-crown 5-Ether|2-Methylthiobenzoic acid, methyl ester|2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine|2,3-Benzo-1,4,7,10,13-pentaoxacyclopentadec-2-ene|Denzo15C5|benzo 15-crown-5 ether|Benzo[6]1,4,7,10,13-pentaoxacyclopentadecane|benzyl(2-bromoethyl)carbamate|1,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-|2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxa cyclopentadecin|4-Quinolinol, 6-bromo-2-(trifluoromethyl)-|Benzo15C5|Benzyl 15-crown-5|Cephalotaxine, (.+-.)-|Crown ether benzo-15-crown-5|Benzo-15-crown-5|2,3,5,6,8,9,11,12-Octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine|2,3,5,6,8,9,11,12-Octahydrobenzo-[b][1,4,7,10,13]pentaoxacyclopentadecine|Benzo-15-crown-5 ether

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifiche

Sinonimi

Benzo-15-crown-5(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin) | Monobenzo-15-crown-5 | 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin | 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene | Benzo-15-crown 5-Ether | 2-Methylthiobenzoic acid, methyl ester | 2,3,5,6,8,9,11,12-Octahydr Mostra altro

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488186226

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186226

Sorrisi canonici

C1COCCOC2=CC=CC=C2OCCOCCO1

IUPAC Name

2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene

InChIKey

FNEPSTUXZLEUCK-UHFFFAOYSA-N

INCHI

1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2

Isomeri SMILES

C1COCCOC2=CC=CC=C2OCCOCCO1

WGK Germania

3

RTECS

DI5400000

Peso molecolare

268.31

Beilstein

1624106

Reaxy-Rn

1624106

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1624106&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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: crown ether

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in hot methanol. Slightly soluble in water.
• Sensibilità: Hygroscopic；Moisture sensitive
• Punto di fusione (°C): 79-82°C
• Peso molecolare: 268.300 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 268.131 Da
• Monoisotopic Mass: 268.131 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 202.000
• 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