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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
Names and Synonyms:
4-Methyl-N-(4-Methylphenyl)-N-Phenylbenzenamine
Benzenamine, 4-methyl-N-(4-methylphenyl)-N-phenyl-
Di-p-tolylamine, N-phenyl-
4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine
N,N-Di-p-tolylaniline
N-Phenyl-di-p-tolylamine
N,N-Bis(4-methylphenyl)aniline
Phenylbis(p-tolyl)amine
Phenyl-di-p-tolylamine
4,4′-Dimethyltriphenylamine
N,N-Bis(p-tolyl)aniline
N,N-Di(4-methylphenyl)phenylamine
Identifiers:
SMILES:
Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
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
Key Properties
Boiling Point
289.3 °C
CAS Common Chemistry
Melting Point
109 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.38 g/mol | CAS Common Chemistry |
| 273.379 g/mol | RDKit | |
| 273.151749608 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 |
| LogP | 5.773240000000004 | RDKit |
| Molar Refractivity | 90.59900000000005 | RDKit |
