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

CAS: 603-48-5 Cat. No.: L109871 Formula: C₂₅H₃₁N₃ Molecular Weight: 373.53 Beilstein Registry Number: 13315 EC Number: 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

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

Specifications & Purity

analytical standard

Storage

Protected from light,Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

Pubchem Sid

528776365

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528776365

Canonical Smiles

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

Isomeric SMILES

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 Germany

3

Molecular Weight

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
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Melt Point(°C): 175-177°C
• Molecular Weight: 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