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Molecule
3,3',5,5'-Tetramethylbenzidine
CAS: 54827-17-7 · C16H20N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 54827-17-7
- Molecular Formula
- C16H20N2
- Molecular Mass
- 240.35 g/mol
Identifiers
CAS Registry Number
54827-17-7
SMILES
Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N
InChI Key
UAIUNKRWKOVEES-UHFFFAOYSA-N
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
Names and Synonyms
- 3,3',5,5'-Tetramethylbenzidine Systematic Name
- [1,1′-Biphenyl]-4,4′-diamine, 3,3′,5,5′-tetramethyl- Synonym
- Benzidine, 3,3′,5,5′-tetramethyl- Synonym
- 3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diamine Synonym
- 3,3′,5,5′-Tetramethylbenzidine Synonym
- 3,5,3′,5′-Tetramethylbenzidine Synonym
- TMB Synonym
- BM blue Synonym
- TMB substrate Synonym
- 3,3′,5,5′-Tetramethylbiphenyl-4,4′-diamine Synonym
- K-Blue Max Synonym
- ColorBurst Blue Synonym
- TMB Blotting Plus Synonym
- Enhanced K-Blue Synonym
- Sure Blue TMB Synonym
- K-Blue Synonym
- 3,3′,5,5′-Tetramethyl-4,4′-diaminobiphenyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.35 g/mol | CAS Common Chemistry |
| 240.34999999999997 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 |
| 3.7517 | RDKit | |
| Molar Refractivity | 79.65080000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 240.16264864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 240.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H20N2.
