Leucocrystal Violet - analytical standard , CAS No.603-48-5

CAS: 603-48-5 Cat. No.: L109871 Fórmula: C₂₅H₃₁N₃ Peso molecular: 373.53 Beilstein Registry Number: 13315 Número CE: 210-043-9

GRADE & PURITY Analytical standard

Synonyms

LCV | 3vw1 | 4,4''-Methylidynetris(N,N-dimethylaniline) | 4-[bis[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline | AS-66577 | CI BASIC VIOLET 3, LEUCO | PD065506 | A-DMA | AI3-19978 | LCV | Tris(4-(dimethylamino)phenyl)methane | AKOS015903459 | STL416

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

LCV | 3vw1 | 4,4''-Methylidynetris(N,N-dimethylaniline) | 4-[bis[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline | AS-66577 | CI BASIC VIOLET 3, LEUCO | PD065506 | A-DMA | AI3-19978 | LCV | Tris(4-(dimethylamino)phenyl)methane | AKOS015903459 | STL416

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

• Pubchem Sid: 528776365
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528776365
• Sorrisos canónicos: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
• IUPAC Name: 4-[bis[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
• InChIKey: OAZWDJGLIYNYMU-UHFFFAOYSA-N
• INCHI: 1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3
• SMILES isoméricas: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
• WGK Alemanha: 3
• Peso molecular: 373.53
• Beilstein: 13315
• Reaxy-Rn: 2222570
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2222570&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Ponto de fusão (°C): 175-177°C
• Peso molecular: 373.500 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 373.252 Da
• Monoisotopic Mass: 373.252 Da
• Topological Polar Surface Area: 9.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 370.000
• 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: 1

Referências

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3. Yaoping Hu, Zhijin Gao.  (2020)  Yellow emissive Se,N-codoped carbon dots toward sensitive fluorescence assay of crystal violet.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:31968303] [10.1016/j.jhazmat.2020.122073]

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