Back to Search
Molecule
4-Methyl-N-(4-Methylphenyl)-N-Phenylbenzenamine
CAS: 20440-95-3 · C20H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20440-95-3
- Molecular Formula
- C20H19N
- Molecular Mass
- 273.38 g/mol
Identifiers
CAS Registry Number
20440-95-3
SMILES
Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChI Key
YWKKLBATUCJUHI-UHFFFAOYSA-N
InChI
InChI=1S/C20H19N/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3
Names and Synonyms
- 4-Methyl-N-(4-Methylphenyl)-N-Phenylbenzenamine Synonym
- Benzenamine, 4-methyl-N-(4-methylphenyl)-N-phenyl- Synonym
- Di-p-tolylamine, N-phenyl- Synonym
- 4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine Synonym
- N,N-Di-p-tolylaniline Synonym
- N-Phenyl-di-p-tolylamine Synonym
- N,N-Bis(4-methylphenyl)aniline Synonym
- Phenylbis(p-tolyl)amine Synonym
- Phenyl-di-p-tolylamine Synonym
- 4,4′-Dimethyltriphenylamine Synonym
- N,N-Bis(p-tolyl)aniline Synonym
- N,N-Di(4-methylphenyl)phenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.38 g/mol | CAS Common Chemistry |
| 273.379 g/mol | RDKit | |
| Boiling Point | 289.3 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H19N/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YWKKLBATUCJUHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109 °C | CAS Common Chemistry |
| Name | 4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 5.773240000000004 | RDKit |
| 5.7732 | RDKit | |
| Molar Refractivity | 90.59900000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 273.151749608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 273.38 g/mol. Edit any field — others recompute live.
