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

CAS: 25805-17-8 Cat. No.: P478212 EC Number: 682-210-8

GRADE & PURITY Mw 5000

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Specifications & Purity

Mw 5000

Storage

Room temperature, Argon charged

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504754069
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754069
• Canonical Smiles: 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
• Isomeric 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
    • Class Azolines
      • Subclass Oxazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.52
• Molecular Weight: 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

References

1. Cai Chunqi, Chen Qingqing, Su Hongyan, Huang Pengcheng, Mao Junjie, Wu Fang-Ying.  (2023)  Single copper sites dispersed on metal-organic frameworks boost the degradation of nerve agent simulants.  Science China-Materials,  66  (6): (2475-2482).  [PMID:] [10.1007/s40843-022-2378-8]

2. Wenyuan Lang, Wanting Zhang, Nuojin Zhang, Hao Huang, Feng Lin, Aimin Ge, Bing Xue, Shuguang Yang.  (2025)  Effects of pH and Salt Concentration on Assembly and Disassembly of the PEOX-EI-50/PAA Complex Containing Hydrogen Bonding and Electrostatic Force Dual Interaction.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.4c03103]