Azul básico 3 , CAS No.33203-82-6

CAS: 33203-82-6 Cat. No.: B358273 Fórmula: C₂₀H₂₆ClN₃O Peso molecular: 359.9 Número CE: 251-403-5

Synonyms

BASICBLUE3 | LOWACRYL BLUE 3 | Q27279744 | Etanamínio, N-(7-(dietilamino)-3H-fenoxazin-3-ilideno)-N-etil-, cloreto | H82L80329Y | BASIC BLUE 3 [INCI] | EINECS 251-403-5 | Basic Blue 3, Teor de corante 25 % | Fenoxazin-5-ium,7-bis(dietilamino)-, chlori

Storage

Temperatura ambiente

Shipped In

Normal

Visão geral

O carvão ativado preparado a partir do revestimento de sementes de borracha pode remover o azul alcalino 3 (BB3) de uma solução aquosa. O azul básico 3 (C.I.51104) é um corante catiónico. Geralmente carrega uma carga positiva em soluções aquosas.

Aplicação

O Basic Blue 3 tem uma cor azul brilhante, pelo que pode ser utilizado como corante para tingir tecidos acrílicos

Especificações

Sinónimos

BASICBLUE3 | LOWACRYL BLUE 3 | Q27279744 | Etanamínio, N-(7-(dietilamino)-3H-fenoxazin-3-ilideno)-N-etil-, cloreto | H82L80329Y | BASIC BLUE 3 [INCI] | EINECS 251-403-5 | Basic Blue 3, Teor de corante 25 % | Fenoxazin-5-ium,7-bis(dietilamino)-, chlori

Condições de armazenamento de armazenamento

Temperatura ambiente

Enviado em

Normal

Nomes e identificadores

Pubchem Sid

488187573

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

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
    • Classe Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Leishmania donovani (89745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium berghei (192651 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trypanosoma brucei rhodesiense (7991 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (partly), ethanol, and EGME.
• Ponto de fusão (°C): 205° C (lit.)(dec.)
• Peso molecular: 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