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3,3',5,5'-Tetramethylbenzidine
CAS: 54827-17-7 | C16H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54827-17-7
Molecular Formula:
C16H20N2
Molecular Mass:
240.35 g/mol
Names and Synonyms:
3,3',5,5'-Tetramethylbenzidine
[1,1′-Biphenyl]-4,4′-diamine, 3,3′,5,5′-tetramethyl-
Benzidine, 3,3′,5,5′-tetramethyl-
3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diamine
3,3′,5,5′-Tetramethylbenzidine
3,5,3′,5′-Tetramethylbenzidine
TMB
BM blue
TMB substrate
3,3′,5,5′-Tetramethylbiphenyl-4,4′-diamine
K-Blue Max
ColorBurst Blue
TMB Blotting Plus
Enhanced K-Blue
Sure Blue TMB
K-Blue
3,3′,5,5′-Tetramethyl-4,4′-diaminobiphenyl
Identifiers:
SMILES:
Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N
InChI:
InChI=1S/C16H20N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8H,17-18H2,1-4H3
Key Properties
Melting Point
168.5 °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 |
| 240.34999999999997 g/mol | RDKit | |
| 240.16264864 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,3%27,5,5%27-Tetramethylbenzidine | CAS Common Chemistry |
| Canonical SMILES | NC=1C(=CC(=CC1C)C=2C=C(C(N)=C(C2)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H20N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8H,17-18H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UAIUNKRWKOVEES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168.5 °C | CAS Common Chemistry |
| Name | 3,3′,5,5′-Tetramethylbenzidine | CAS Common Chemistry |
| 3,3',5,5'-Tetramethylbenzidine | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 3.7516800000000012 | RDKit |
| Molar Refractivity | 79.65080000000002 | RDKit |
