4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline

• ChemBase ID: 133147
• Molecular Formular: C16H20N2
• Molecular Mass: 240.3434
• Monoisotopic Mass: 240.16264865
• SMILES: CN(C)c1ccc(cc1)c1ccc(cc1)N(C)C
• Canonical SMILES: CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C16H20N2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3
• InChIKey: YRNWIFYIFSBPAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline
• IUPAC Traditional name: N,N,N',N'-tetramethylbenzidine
• Synonyms: N,N,N′,N′-Tetramethylbenzidine

Database IDs

• CAS Number: 366-29-0
• EC Number: 206-676-5
• MDL Number: MFCD00008310
• PubChem SID: 162227424; 24900288
• PubChem CID: 9702

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6319482
• LogD (pH = 7.4): 3.8335712
• Log P: 3.8365588
• Molar Refractivity: 80.0514 cm^3
• Polarizability: 31.054642 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193-195 °C(lit.)

Safety Information

• RTECS: DD1752100
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (HPLC)