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Bis(4-Methylphenyl)Amine
CAS: 620-93-9 | C14H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
620-93-9
Molecular Formula:
C14H15N
Molecular Mass:
197.28 g/mol
Names and Synonyms:
Bis(4-Methylphenyl)Amine
Benzenamine, 4-methyl-N-(4-methylphenyl)-
Di-p-tolylamine
4-Methyl-N-(4-methylphenyl)benzenamine
N-p-Tolyl-p-toluidine
4,4′-Dimethyldiphenylamine
Bis(4-methylphenyl)amine
N,N-Bis(4-methylphenyl)amine
Bis(p-tolyl)amine
N-p-Methylphenyl-4-methylaniline
p,p′-Ditolylamine
Identifiers:
SMILES:
Cc1ccc(Nc2ccc(C)cc2)cc1
InChI:
InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
Key Properties
Boiling Point
330.5 °C
CAS Common Chemistry
Melting Point
79.8 °C
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 | 197.28 g/mol | CAS Common Chemistry |
| 197.281 g/mol | RDKit | |
| 197.12044948 g/mol | RDKit | |
| Boiling Point | 330.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1NC2=CC=C(C=C2)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RHPVVNRNAHRJOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 79.8 °C | CAS Common Chemistry |
| Name | Bis(4-methylphenyl)amine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 4.047040000000002 | RDKit |
| Molar Refractivity | 65.64070000000004 | RDKit |
