4-Diazo-4'-methoxydiphenylamine Sulfate - ≥98%(HPLC) , CAS No.49732-38-9

CAS: 49732-38-9 Cat. No.: D154693 Molecular Weight: 323.32 EC Number: 633-351-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

SCHEMBL22974911 | DTXSID20659892 | FT-0765746 | 4-[N-(4-Methoxyphenyl)amino]benzenediazonium Sulfate | 4-Diazo-4'-methoxydiphenylamine Sulfate | 4-(4-Methoxyphenylamino)benzenediazonium hydrogensulfate | 4-(4-Methoxyanilino)benzene-1-diazonium hydrogen su

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL22974911 | DTXSID20659892 | FT-0765746 | 4-[N-(4-Methoxyphenyl)amino]benzenediazonium Sulfate | 4-Diazo-4'-methoxydiphenylamine Sulfate | 4-(4-Methoxyphenylamino)benzenediazonium hydrogensulfate | 4-(4-Methoxyanilino)benzene-1-diazonium hydrogen su

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N.OS(=O)(=O)[O-]
• IUPAC Name: hydrogen sulfate;4-(4-methoxyanilino)benzenediazonium
• InChIKey: UXVMTJSLLAUFTO-UHFFFAOYSA-M
• INCHI: 1S/C13H12N3O.H2O4S/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;1-5(2,3)4/h2-9,15H,1H3;(H2,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: COC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N.OS(=O)(=O)[O-]
• Molecular Weight: 323.32
• Reaxy-Rn: 30033316
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30033316&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Diazonium sulfates Anisoles Alkyl aryl ethers Primary aromatic amines Organic sulfuric acids and derivatives Organic diazonium salts Secondary amines Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Diazonium sulfate - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Primary aromatic amine - Organic sulfuric acid or derivatives - Organic diazonium salt - Ether - Secondary amine - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the 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

Chemical and Physical Properties

• Molecular Weight: 323.330 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 323.058 Da
• Monoisotopic Mass: 323.058 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 346.000
• 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: 2

XLogP3