4-Methyl-N,N-diphenylaniline

Name: 4-Methyl-N,N-diphenylaniline
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CAS No. 4316-53-4
Cat. No. CS-W012521
Molecule weight259.35
Purity≥98%
MDL No.MFCD03093256

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General Information

CAS No. 4316-53-4
Cat. No. CS-W012521
Purity ≥98%
MDL No. MFCD03093256
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₉H₁₇N
Molecular Weight 259.35
Synonym(s) N,N-Diphenyl-p-toluidine
SMILES CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

Description

4-Methyl-N,N-diphenylaniline features a conjugated triarylamine scaffold with electron-donating methyl and diphenylamino groups. This robust structure exhibits strong fluorescence and redox activity, enabling use in organic semiconductors and photoactive materials. The molecule’s planar geometry enhances intermolecular π-stacking, while its bench-stable nature supports reliable handling under standard conditions.

Application

4-Methyl-N,N-diphenylaniline serves as a stable, bench-ready arylamine building block for the synthesis of functionalized heterocycles and conjugated materials. Its electron-rich aromatic core facilitates palladium-catalyzed cross-coupling reactions, while the N,N-diphenyl substitution enhances solubility and oxidative stability. The methyl group provides a site for further functionalization, enabling access to diverse scaffolds in medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352

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Computational Chemistry Data

TPSA 3.24
LogP 5.46482
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Methyl-N,N-diphenylaniline

CAS No. 4316-53-4

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