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Molecule
N,N,N′,N′-Tetramethylbenzidine
CAS: 366-29-0 · C16H20N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 366-29-0
- Molecular Formula
- C16H20N2
- Molecular Mass
- 240.35 g/mol
Identifiers
CAS Registry Number
366-29-0
SMILES
CN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1
InChI Key
YRNWIFYIFSBPAU-UHFFFAOYSA-N
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
Names and Synonyms
- N,N,N′,N′-Tetramethylbenzidine Systematic Name
- [1,1′-Biphenyl]-4,4′-diamine, N4,N4,N4′,N4′-tetramethyl- Synonym
- Benzidine, N,N,N′,N′-tetramethyl- Synonym
- [1,1′-Biphenyl]-4,4′-diamine, N,N,N′,N′-tetramethyl- Synonym
- N,N,N′,N′-Tetramethylbenzidine Synonym
- 4,4′-Bis(N,N-dimethylamino)biphenyl Synonym
- N,N,N′,N′-Tetramethyl-p,p′-benzidine Synonym
- 4,4′-Bis(dimethylamino)biphenyl Synonym
- N,N,N′,N′-Tetramethyl[1,1′-biphenyl]-4,4′-diamine Synonym
- TMB Synonym
- NSC 433 Synonym
- 4,4′-Bis(dimethylamino)-1,1′-biphenyl Synonym
- N,N-Dimethyl-(4′-(dimethylamino)biphenyl-4-yl)amine Synonym
- N4,N4,N4′,N4′-Tetramethyl[1,1′-biphenyl]-4,4′-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.35 g/mol | CAS Common Chemistry |
| 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 |
| 6.02 Ų | chempirical lib | |
| LogP | 3.4856000000000025 | RDKit |
| 3.4856 | RDKit | |
| 3.14 | chempirical lib | |
| Molar Refractivity | 80.53200000000005 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 240.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H20N2.
