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603-48-5 molecular structure
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4-{bis[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline

ChemBase ID: 104233
Molecular Formular: C25H31N3
Molecular Mass: 373.53374
Monoisotopic Mass: 373.25179801
SMILES and InChIs

SMILES:
CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Canonical SMILES:
CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)C
InChI:
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
InChIKey:
OAZWDJGLIYNYMU-UHFFFAOYSA-N

Cite this record

CBID:104233 http://www.chembase.cn/molecule-104233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{bis[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline
IUPAC Traditional name
4-{bis[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline
Synonyms
4,4′,4′′-Methylidynetris(N,N-dimethylaniline)
Leuco Crystal Violet
Leucocrystal Violet
4,4',4''-Methylidynetris[N,N-dimethylbenzenamine
4,4',4''-Methylidynetris[N,N-dimethylaniline
4,4',4''-(Hexamethyltriamino)triphenylmethane
Leuco Basic Violet 3
Leucocrystal Violet
Leucomethyl Green
NSC 7338
Tris[4-(dimethylamino)phenyl]methane
Leuco Gentian Violet
4,4',4''-Methylidynetris(N,N-dimethylaniline)
LEUCOCRYSTAL VIOLET
LEUCO CRYSTAL VIOLET
CAS Number
603-48-5
EC Number
210-043-9
MDL Number
MFCD00008314
PubChem SID
24853114
162091659
PubChem CID
69048

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 69048 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.529054  LogD (pH = 7.4) 5.8060293 
Log P 5.8099947  Molar Refractivity 123.7246 cm3
Polarizability 45.83222 Å3 Polar Surface Area 9.72 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Melting Point
175-177 °C(lit.) expand Show data source
175-177°C expand Show data source
Absorption Wavelength
λmax 260 nm expand Show data source
Storage Condition
Room Temperature (15-30°C), Protect from light expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Linear Formula
CH[C6H4N(CH3)2]3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 219215 external link
Caution
Photo-ionization can cause color variations
Packaging
5, 25 g in glass bottle
Toronto Research Chemicals - L330200 external link
A metabolite of Gentian Violet in seafood products.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Rushing, L., et al.: J. Chromatogr., 700, 223 (1997)
  • • Ohtsu, H., et al.: J. Med. Chem., 45, 5037 (1997)
  • • Yin, D., et al.: Mol. Pharmacol., 63, 211 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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