Dibenzo-21-crown 7-Ether - ≥96% , CAS No.14098-41-0

CAS: 14098-41-0 Cat. No.: D302831 Fórmula: C₂₂H₂₈O₇ Peso molecular: 404.45 Número CE: 680-066-0

GRADE & PURITY ≥96%

Synonyms

DTXSID30342925 | 2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.0^{9,14]nonacosa-1(29),9,11,13,25,27-hexaene | J-007439 | AB01099894-03 | AKOS001025168 | SY052448 | Dibenzo[b,k][1,4,7,10,13,16,19]heptaoxacycloheneicosin, 6,7,9,10,12,13,20,21,23,24-decahydro- |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30342925 | 2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.0^{9,14]nonacosa-1(29),9,11,13,25,27-hexaene | J-007439 | AB01099894-03 | AKOS001025168 | SY052448 | Dibenzo[b,k][1,4,7,10,13,16,19]heptaoxacycloheneicosin, 6,7,9,10,12,13,20,21,23,24-decahydro- |

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

528769763

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769763

Sorrisos canónicos

C1COCCOC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1

IUPAC Name

2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene

InChIKey

JKCQOMAQPUYHPL-UHFFFAOYSA-N

INCHI

1S/C22H28O7/c1-3-7-21-19(5-1)26-15-11-23-9-10-24-12-16-27-20-6-2-4-8-22(20)29-18-14-25-13-17-28-21/h1-8H,9-18H2

SMILES isoméricas

C1COCCOC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1

WGK Alemanha

3

Peso molecular

404.45

Reaxy-Rn

1693830

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1693830&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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 107 °C
• Peso molecular: 404.500 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 404.184 Da
• Monoisotopic Mass: 404.184 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 373.000
• 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