Variamine Blue B [Redox Indicator] - ≥98% , CAS No.3566-44-7

CAS: 3566-44-7 Cat. No.: V162977 Molecular Weight: 250.73 Beilstein Registry Number: 13(3)1161 EC Number: 222-652-7 PubChem CID: 77108

GRADE & PURITY ≥98%

Synonyms

Variamine Blue B Hydrochloride | N-(P-METHOXYPHENYL)-P-PHENYLENEDIAMINE HYDROCHLORIDE [MI] | N-(4-Methoxyphenyl)benzene-1,4-diamine monohydrochloride | UNII-E365PN4L70 | AKOS015903556 | EINECS 222-652-7 | N-(4-Methoxyphenyl)-1,4-phenylenediamine Hydrochlo

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

Variamine Blue B Hydrochloride | N-(P-METHOXYPHENYL)-P-PHENYLENEDIAMINE HYDROCHLORIDE [MI] | N-(4-Methoxyphenyl)benzene-1, 4-diamine monohydrochloride | UNII-E365PN4L70 | AKOS015903556 | EINECS 222-652-7 | N-(4-Methoxyphenyl)-1, 4-phenylenediamine Hydrochlo

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl
• IUPAC Name: 4-N-(4-methoxyphenyl)benzene-1,4-diamine;hydrochloride
• InChIKey: HPQQXLXIGHOKNZ-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O.ClH/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;/h2-9,15H,14H2,1H3;1H
• Isomeric SMILES: COC1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl
• PubChem CID: 77108
• Molecular Weight: 250.73
• Beilstein: 13(3)1161
• Reaxy-Rn: 4162254

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 Anisoles Alkyl aryl ethers Secondary amines Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Secondary amine - Organic nitrogen compound - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - 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

• Solubility: Soluble in water
• Melt Point(°C): 255 °C
• Molecular Weight: 250.720 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 250.087 Da
• Monoisotopic Mass: 250.087 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 194.000
• 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

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