Poly(2-ethyl-2-oxazoline) - Mw 5000 , CAS No.25805-17-8

CAS: 25805-17-8 Cat. No.: P478212 Fórmula: [-N(COC₂H₅)CH₂CH₂-]_n Número EC: 682-210-8

GRADE & PURITY Mw 5000

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Especificaciones y pureza

Mw 5000

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Nombres e identificadores

Pubchem Sid

504754069

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754069

Sonrisas canónicas

CCC1=NCCO1

IUPAC Name

2-ethyl-4,5-dihydro-1,3-oxazole

InChIKey

NYEZZYQZRQDLEH-UHFFFAOYSA-N

INCHI

1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3

Isómeros SMILES

CCC1=NCCO1

Reaxy-Rn

105464

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105464&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolines
      • Subclass Oxazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolines
• Subclass: Oxazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolines
• Alternative Parents: Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazoline - Imido ester - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxazolines. These are organic compounds containing 1,3-oxazoline, a five-membered ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.52
• Peso molecular: 99.130 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 99.0684 Da
• Monoisotopic Mass: 99.0684 Da
• Topological Polar Surface Area: 21.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.100
• 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