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N,N,N′,N′-Tetramethylbenzidine
CAS: 366-29-0 | C16H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
366-29-0
Molecular Formula:
C16H20N2
Molecular Mass:
240.35 g/mol
Names and Synonyms:
N,N,N′,N′-Tetramethylbenzidine
[1,1′-Biphenyl]-4,4′-diamine, N4,N4,N4′,N4′-tetramethyl-
Benzidine, N,N,N′,N′-tetramethyl-
[1,1′-Biphenyl]-4,4′-diamine, N,N,N′,N′-tetramethyl-
N,N,N′,N′-Tetramethylbenzidine
4,4′-Bis(N,N-dimethylamino)biphenyl
N,N,N′,N′-Tetramethyl-p,p′-benzidine
4,4′-Bis(dimethylamino)biphenyl
N,N,N′,N′-Tetramethyl[1,1′-biphenyl]-4,4′-diamine
TMB
NSC 433
4,4′-Bis(dimethylamino)-1,1′-biphenyl
N,N-Dimethyl-(4′-(dimethylamino)biphenyl-4-yl)amine
N4,N4,N4′,N4′-Tetramethyl[1,1′-biphenyl]-4,4′-diamine
Identifiers:
SMILES:
CN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1
InChI:
InChI=1S/C16H20N2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3
Key Properties
Melting Point
194 °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 | 240.35 g/mol | CAS Common Chemistry |
| 240.16264864 g/mol | RDKit | |
| Canonical SMILES | C=1C=C(C=CC1C=2C=CC(=CC2)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H20N2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YRNWIFYIFSBPAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194 °C | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetramethylbenzidine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 3.4856000000000025 | RDKit |
| Molar Refractivity | 80.53200000000005 | RDKit |
