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 Summenformel: C₃₆H₄₆N₈O₁₁ Molekulargewicht: 766.8 EG-Nummer: 679-614-1

QUALITÄT & REINHEIT extent of labeling: ~2.6 mol cyanoethylation per mol cellulose

Synonyms

Cellulose, cyanoethylated | Cellulose cyanoethyl ether

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

Cellulose, cyanoethylated | Cellulose cyanoethyl ether

Spezifikationen & Reinheit

extent of labeling: ~2.6 mol cyanoethylation per mol cellulose

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Pubchem Sid

508814438

Kanonisches Lächeln

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

Isomere SMILES

C(COCCC#N)C#N

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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