4，4'-Diethoxyazobenzene - ≥97% , CAS No.588-52-3

CAS: 588-52-3 Cat. No.: D695407 PubChem CID: 101783

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCC
• IUPAC Name: bis(4-ethoxyphenyl)diazene
• InChIKey: FMPYMMTZQFFROU-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2O2/c1-3-19-15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20-4-2/h5-12H,3-4H2,1-2H3
• Isomere SMILES: CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCC
• Alternative CAS-Nummer: 588-52-3
• PubChem CID: 101783

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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: 270.330 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 270.137 Da
• Monoisotopic Mass: 270.137 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 252.000
• 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