4-{[4-(dimethylamino)phenyl](phenyl)methyl}-N,N-dimethylaniline

• ChemBase ID: 104234
• Molecular Formular: C23H26N2
• Molecular Mass: 330.46594
• Monoisotopic Mass: 330.20959884
• SMILES: CN(C)c1ccc(cc1)C(c1ccccc1)c1ccc(cc1)N(C)C
• Canonical SMILES: CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C
• InChI: InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3
• InChIKey: WZKXBGJNNCGHIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(dimethylamino)phenyl](phenyl)methyl}-N,N-dimethylaniline
• IUPAC Traditional name: 4-{[4-(dimethylamino)phenyl](phenyl)methyl}-N,N-dimethylaniline
• Synonyms: 4,4'-(Phenylmethylene)bis[N,N-dimethylbenzenamine; 4,4'-Bis(dimethylamino)triphenylmethane; Bis(p-dimethylaminophenyl)phenylmethane; Malachite Green Leuco; NSC 36379; p,p'-Benzylidenebis(N,N-dimethylaniline); 4,4'-Benzylidenebis(N,N-dimethylaniline); Malachite green leuco base; LEUCO MALACHITE GREEN; p,p'-Benzylidenebis-N,N-dimethylaniline; LEUCOMALACHITE GREEN; p,p′-Benzylidenebis-N,N-dimethylaniline; 4,4′-Benzylidenebis(N,N-dimethylaniline); Leucomalachite Green; Leucomalachite Green; 孔雀石绿; 隐色孔雀绿; 4,4′-苯亚甲基双(N,N-二甲基苯胺)

Database IDs

• CAS Number: 129-73-7
• EC Number: 204-961-9
• MDL Number: MFCD00008315
• Beilstein Number: 2140506
• Merck Index: 145699
• PubChem SID: 162091507; 24847677
• PubChem CID: 67215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.518484
• LogD (pH = 7.4): 5.6993747
• Log P: 5.7019506
• Molar Refractivity: 109.296 cm^3
• Polarizability: 41.03093 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 100-102 °C(lit.); 100-102°C; 100-102°C
• Absorption Wavelength: λmax 623 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen, Protect from light
• Storage Warning: Air Sensitive
• RTECS: CY1203055
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-50/53
• Safety Statements: 60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H400
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (HPLC)
• Grade: analytical standard
• Linear Formula: C6H5CH[C6H4N(CH3)2]2

DETAILS

MP Biomedicals - 05214854

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155196

(p,p'-Benzylidenebis-N,N-dimethylaniline) Light green crystals.

Sigma Aldrich - 125660

Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - L330300

A metabolite of Malachite Green in seafood products. A triphenylmethane dye with fungicidal and limited antiseptic activity. The term Malachine green applies to the oxalate as well as the chloride. Harmful if swallowed. Avoid release to the environment.

REFERENCES

• Carter, S.G., et al.: J. Biochem. Biophys. Methods, 7, 7 (1982)
• Saikan, S., et al.: J. Chem. Phys., 79, 4154 (1982)
• Clemmensen, S., et al.: Arch. Toxicol., 56, 43 (1982)