2-[2-(2-Azidoethoxy)ethoxy]ethanol solution - ~0.5M in tert-butyl methyl ether , CAS No.86520-52-7

CAS: 86520-52-7 Cat. No.: A462927 Fórmula: C₆H₁₃N₃O₃ Peso molecular: 175.19 Beilstein Registry Number: 4418543 Número CE: 694-430-1

GRADE & PURITY ~0.5M in tert-butyl methyl ether

Synonyms

1-Azido-8-hydroxy-3,6-dioxaoctane | SCHEMBL214423 | Ethanol, 2-[2-(2-azidoethoxy)ethoxy]- | 2-(2-(2-azidoethoxy)ethoxy)ethan-1-ol | BP-20693 | 8-Azido-3,6-dioxaoctanol | 2-(2-(2-AZIDOETHOXY)ETHOXY)ETHANOL | LCZC464 | ZB0973 | 5-Pentylpent-2-en-5-olide | G

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1-Azido-8-hydroxy-3,6-dioxaoctane | SCHEMBL214423 | Ethanol, 2-[2-(2-azidoethoxy)ethoxy]- | 2-(2-(2-azidoethoxy)ethoxy)ethan-1-ol | BP-20693 | 8-Azido-3,6-dioxaoctanol | 2-(2-(2-AZIDOETHOXY)ETHOXY)ETHANOL | LCZC464 | ZB0973 | 5-Pentylpent-2-en-5-olide | G

Especificações e pureza

~0.5M in tert-butyl methyl ether

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.

Nomes e identificadores

• Sorrisos canónicos: C(COCCOCCO)N=[N+]=[N-]
• IUPAC Name: 2-[2-(2-azidoethoxy)ethoxy]ethanol
• InChIKey: PMNIHDBMMDOUPD-UHFFFAOYSA-N
• INCHI: 1S/C6H13N3O3/c7-9-8-1-3-11-5-6-12-4-2-10/h10H,1-6H2
• SMILES isoméricas: C(COCCOCCO)N=[N+]=[N-]
• WGK Alemanha: 3
• Peso molecular: 175.19
• Beilstein: 4418543
• Reaxy-Rn: 4418543
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4418543&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Azo compounds Dialkyl ethers Primary alcohols Organopnictogen compounds Organic zwitterions Organic salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo imide - Azo compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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

• Peso molecular: 175.190 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 175.096 Da
• Monoisotopic Mass: 175.096 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• 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