1,2,3-Tris(2-cyanoethoxy)propane - ≥97% , CAS No.2465-93-2

CAS: 2465-93-2 Cat. No.: T162704 Peso molecular: 251.29 Número EC: 219-573-5 PubChem CID: 75572

GRADE & PURITY ≥97%

Synonyms

CAA46593 | 3,3',3''-(1,2,3-PROPANETRIYLTRIS(OXY))TRIS(PROPANENITRILE) | .alpha.-(2,4-Dichlorophenyl)-.alpha.-phenyl-5-pyrimidinemethanol | Propanenitrile,3,3',3''-[1,2,3-propanetriyltris(oxy)]tris- | STL477737 | FT-0606235 | Amplit | Tris(.beta.-cyanoetho

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

CAA46593 | 3, 3', 3''-(1, 2, 3-PROPANETRIYLTRIS(OXY))TRIS(PROPANENITRILE) | .alpha.-(2, 4-Dichlorophenyl)-.alpha.-phenyl-5-pyrimidinemethanol | Propanenitrile, 3, 3', 3''-[1, 2, 3-propanetriyltris(oxy)]tris- | STL477737 | FT-0606235 | Amplit | Tris(.beta.-cyanoetho

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488185132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185132
• Sonrisas canónicas: C(COCC(COCCC#N)OCCC#N)C#N
• IUPAC Name: 3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile
• InChIKey: ALGVJKNIAOBBBJ-UHFFFAOYSA-N
• INCHI: 1S/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2
• Isómeros SMILES: C(COCC(COCCC#N)OCCC#N)C#N
• PubChem CID: 75572
• Peso molecular: 251.29
• Reaxy-Rn: 1787863

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Trialkylglycerols
• Alternative Parents: Glycerol ethers Nitriles Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylglycerol - Glycerol ether - Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylglycerols. These are triradylglycerols that carry three chains attached to the glycerol moiety through ether linkages.
• 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

• Solubilidad: Soluble in Acetone
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.46
• Peso molecular: 251.280 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 251.127 Da
• Monoisotopic Mass: 251.127 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 319.000
• 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