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N,N,N′,N′-Tetra(4-Methylphenyl)-1,1′-Biphenyl-4,4′-Diamine
CAS: 76185-65-4 | C40H36N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76185-65-4
Molecular Formula:
C40H36N2
Molecular Mass:
544.74 g/mol
Names and Synonyms:
N,N,N′,N′-Tetra(4-Methylphenyl)-1,1′-Biphenyl-4,4′-Diamine
[1,1′-Biphenyl]-4,4′-diamine, N4,N4,N4′,N4′-tetrakis(4-methylphenyl)-
[1,1′-Biphenyl]-4,4′-diamine, N,N,N′,N′-tetrakis(4-methylphenyl)-
Benzidine, N,N,N′,N′-tetra-p-tolyl-
N,N′,N′′,N′′′-Tetrakis(4-methylphenyl)-(1,1′-biphenyl)-4,4′-diamine
N,N,N′,N′-Tetra-p-tolyl-(1,1′-biphenyl)-4,4′-diamine
TTB
N,N,N′,N′-Tetrakis(4-methylphenyl)benzidine
OSA 6140
N,N,N′,N′-Tetra(4-methylphenyl)-1,1′-biphenyl-4,4′-diamine
Tetra-p-tolylbiphenyl-4,4′-diamine
T 2269
Identifiers:
SMILES:
Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1
InChI:
InChI=1S/C40H36N2/c1-29-5-17-35(18-6-29)41(36-19-7-30(2)8-20-36)39-25-13-33(14-26-39)34-15-27-40(28-16-34)42(37-21-9-31(3)10-22-37)38-23-11-32(4)12-24-38/h5-28H,1-4H3
Key Properties
Melting Point
210 °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 | 544.74 g/mol | CAS Common Chemistry |
| 544.7420000000003 g/mol | RDKit | |
| 544.287849152 g/mol | RDKit | |
| Canonical SMILES | C=1C=C(C=CC1C=2C=CC(=CC2)N(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)N(C5=CC=C(C=C5)C)C6=CC=C(C=C6)C | CAS Common Chemistry |
| InChI | InChI=1S/C40H36N2/c1-29-5-17-35(18-6-29)41(36-19-7-30(2)8-20-36)39-25-13-33(14-26-39)34-15-27-40(28-16-34)42(37-21-9-31(3)10-22-37)38-23-11-32(4)12-24-38/h5-28H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MVIXNQZIMMIGEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210 °C | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetra(4-methylphenyl)-1,1′-biphenyl-4,4′-diamine | CAS Common Chemistry |
| Heavy Atom Count | 42 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 11.526879999999986 | RDKit |
| Molar Refractivity | 180.19199999999947 | RDKit |
