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Molecule
2,3,5,6-Tetramethyl-1,4-Phenylenediamine
CAS: 3102-87-2 · C10H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3102-87-2
- Molecular Formula
- C10H16N2
- Molecular Mass
- 164.25 g/mol
Identifiers
CAS Registry Number
3102-87-2
SMILES
Cc1c(C)c(N)c(C)c(C)c1N
InChI Key
WCZNKVPCIFMXEQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3
Names and Synonyms
- 2,3,5,6-Tetramethyl-1,4-Phenylenediamine Synonym
- 1,4-Benzenediamine, 2,3,5,6-tetramethyl- Synonym
- p-Phenylenediamine, 2,3,5,6-tetramethyl- Synonym
- 2,3,5,6-Tetramethyl-1,4-benzenediamine Synonym
- Diaminodurol Synonym
- Diaminodurene Synonym
- 1,4-Diamino-2,3,5,6-tetramethylbenzene Synonym
- Durenediamine Synonym
- 2,3,5,6-Tetramethyl-p-phenylenediamine Synonym
- 2,3,5,6-Tetramethylphenylenediamine Synonym
- DAD(H) Synonym
- 2,3,5,6-Tetramethyl-1,4-phenylenediamine Synonym
- Tetramethyl-p-phenylenediamine Synonym
- NSC 158251 Synonym
- T 1457 Synonym
- 1,4-Diaminodurene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.25 g/mol | CAS Common Chemistry |
| 164.25199999999998 g/mol | RDKit | |
| 164.252 g/mol | RDKit | |
| Canonical SMILES | NC=1C(=C(C(N)=C(C1C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WCZNKVPCIFMXEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149-150 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 2,3,5,6-Tetramethyl-1,4-phenylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 2.08468 | RDKit |
| 2.0847 | RDKit | |
| 2.11 | chempirical lib | |
| Molar Refractivity | 54.21480000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 164.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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.
External Resources
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MW = 164.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16N2.
