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Tri-P-Tolylamine
CAS: 1159-53-1 | C21H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1159-53-1
Molecular Formula:
C21H21N
Molecular Mass:
287.41 g/mol
Names and Synonyms:
Tri-P-Tolylamine
Benzenamine, 4-methyl-N,N-bis(4-methylphenyl)-
Tri-p-tolylamine
4-Methyl-N,N-bis(4-methylphenyl)benzenamine
Tris(p-methylphenyl)amine
Tritolylamine
Tris(p-tolyl)amine
Tris(4-tolyl)amine
Tri-4-tolylamine
N,N-Bis(p-tolyl)-p-toluidine
N,N,N-Tri(4-methylphenyl)amine
N,N,N-Tris(4-methylphenyl)amine
Tri(4-methylphenyl)amine
Tris(4-methylphenyl)amine
Identifiers:
SMILES:
Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChI:
InChI=1S/C21H21N/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
Key Properties
Boiling Point
294.8 °C
CAS Common Chemistry
Melting Point
117 °C
CAS Common Chemistry
Density
1.10 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 287.41 g/mol | CAS Common Chemistry |
| 287.406 g/mol | RDKit | |
| 287.167399672 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 294.8 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H21N/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YXYUIABODWXVIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117 °C | CAS Common Chemistry |
| Name | Tri-p-tolylamine | CAS Common Chemistry |
| Heavy Atom Count | 22 | 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 | 6.081660000000005 | RDKit |
| Molar Refractivity | 95.33600000000004 | RDKit |
