D&C Red No. 39 - ≥95% , CAS No.6371-55-7

CAS: 6371-55-7 Cat. No.: D1291684 Fórmula: C₁₇H₁₉N₃O₄ Peso molecular: 329.35

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C(C(=C1)C(=O)O)N=NC2=CC=C(C=C2)N(CCO)CCO
• IUPAC Name: 2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]benzoic acid
• InChIKey: KAOXHXDKFGCWPK-UHFFFAOYSA-N
• INCHI: 1S/C17H19N3O4/c21-11-9-20(10-12-22)14-7-5-13(6-8-14)18-19-16-4-2-1-3-15(16)17(23)24/h1-8,21-22H,9-12H2,(H,23,24)
• Peso molecular: 329.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Benzoic acids Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Azo compounds Amino acids 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzoic acid - Benzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Benzenoid - Monocyclic benzene moiety - Amino acid - Tertiary amine - Azo compound - Amino acid or derivatives - 1,2-aminoalcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 329.350 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 329.138 Da
• Monoisotopic Mass: 329.138 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 405.000
• 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