Basic blue 3 , CAS No.33203-82-6

CAS: 33203-82-6 Cat. No.: B358273 Formula: C₂₀H₂₆ClN₃O Molecular Weight: 359.9 EC Number: 251-403-5

Synonyms

BASICBLUE3 | LOWACRYL BLUE 3 | Q27279744 | Ethanaminium, N-(7-(diethylamino)-3H-phenoxazin-3-ylidene)-N-ethyl-, chloride | H82L80329Y | BASIC BLUE 3 [INCI] | EINECS 251-403-5 | Basic Blue 3, Dye content 25 % | Phenoxazin-5-ium,7-bis(diethylamino)-, chlori

Storage

Room temperature

Shipped In

Normal

Overview

Basic blue 3 has an absorbance λ max of 654 nm.Activated carbon prepared from rubber seed coat can remove alkaline blue 3 (BB3) from aqueous solution. Basic Blue 3 (C.I.51104) is a cationic dye. It usually carries a positive charge in aqueous solutions.

Application

Basic Blue 3 has a bright blue color and can therefore be used as a colorant for dyeing acrylic fabrics

Specifications

Synonyms

BASICBLUE3 | LOWACRYL BLUE 3 | Q27279744 | Ethanaminium, N-(7-(diethylamino)-3H-phenoxazin-3-ylidene)-N-ethyl-, chloride | H82L80329Y | BASIC BLUE 3 [INCI] | EINECS 251-403-5 | Basic Blue 3, Dye content 25 % | Phenoxazin-5-ium,7-bis(diethylamino)-, chlori

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

488187573

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187573

Canonical Smiles

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]

IUPAC Name

[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium;chloride

InChIKey

IURGIPVDZKDLIX-UHFFFAOYSA-M

INCHI

1S/C20H26N3O.ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H/q+1;/p-1

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]

WGK Germany

3

Molecular Weight

359.9

Reaxy-Rn

3923954

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3923954&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxazines
• Subclass: Phenoxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxazines
• Alternative Parents: Dialkylarylamines Benzenoids Secondary ketimines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenoxazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Secondary ketimine - Heteroaromatic compound - Tertiary amine - Oxacycle - Azacycle - Organic salt - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine 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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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Plasmodium berghei (192651 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (partly), ethanol, and EGME.
• Melt Point(°C): 205° C (lit.)(dec.)
• Molecular Weight: 359.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 359.176 Da
• Monoisotopic Mass: 359.176 Da
• Topological Polar Surface Area: 27.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 533.000
• 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