Cyanoethyl cellulose(CEC) - extent of labeling: ~2.6 mol cyanoethylation per mol cellulose , CAS No.9004-41-5

CAS: 9004-41-5 Cat. No.: C104494 Fórmula: C₃₆H₄₆N₈O₁₁ Peso molecular: 766.8 Número EC: 679-614-1

GRADE & PURITY extent of labeling: ~2.6 mol cyanoethylation per mol cellulose

Synonyms

Cellulose, cyanoethylated | Cellulose cyanoethyl ether

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Cellulose, cyanoethylated | Cellulose cyanoethyl ether

Especificaciones y pureza

extent of labeling: ~2.6 mol cyanoethylation per mol cellulose

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Pubchem Sid

508814438

Sonrisas canónicas

C(COCCC#N)C#N

IUPAC Name

3-(2-cyanoethoxy)propanenitrile

InChIKey

BCGCCTGNWPKXJL-UHFFFAOYSA-N

INCHI

1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2

Isómeros SMILES

C(COCCC#N)C#N

WGK Alemania

3

Peso molecular

766.8

Reaxy-Rn

1746454

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746454&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

• Peso molecular: 124.140 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 124.064 Da
• Monoisotopic Mass: 124.064 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 129.000
• 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