Variamine Blue B Sulfate (=4-Amino-4'-methoxydiphenylamine Sulfate) [for Iron-Titration] - ≥97%(N) , CAS No.3169-21-9

CAS: 3169-21-9 Cat. No.: V162978 Peso molecular: 312.34 PubChem CID: 165084

GRADE & PURITY ≥97%(N)

Synonyms

1,4-Benzenediamine, N-(4-methoxyphenyl)-, sulfate (1:1) | Blue Base Irga VB | Q27247531 | SCHEMBL11419340 | Blue Salt Irga NB | Azoene Fast Blue VB Salt | Blue Salt NS | N1-(4-methoxyphenyl)benzene-1,4-diamine sulfate | Acna Blue V Salt | Variamine Blue B

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 4-Benzenediamine, N-(4-methoxyphenyl)-, sulfate (1:1) | Blue Base Irga VB | Q27247531 | SCHEMBL11419340 | Blue Salt Irga NB | Azoene Fast Blue VB Salt | Blue Salt NS | N1-(4-methoxyphenyl)benzene-1, 4-diamine sulfate | Acna Blue V Salt | Variamine Blue B

Especificaciones y pureza

≥97%(N)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(N)

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)NC2=CC=C(C=C2)N.OS(=O)(=O)O
• IUPAC Name: 4-N-(4-methoxyphenyl)benzene-1,4-diamine;sulfuric acid
• InChIKey: BMSZNBNGDJDEOC-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O.H2O4S/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;1-5(2,3)4/h2-9,15H,14H2,1H3;(H2,1,2,3,4)
• Isómeros SMILES: COC1=CC=C(C=C1)NC2=CC=C(C=C2)N.OS(=O)(=O)O
• PubChem CID: 165084
• Peso molecular: 312.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic sulfuric acids Secondary amines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Sulfuric acid - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Primary amine - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 312.340 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 312.078 Da
• Monoisotopic Mass: 312.078 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 275.000
• 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