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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
Names and Synonyms:
2,3,5,6-Tetramethyl-1,4-Phenylenediamine
1,4-Benzenediamine, 2,3,5,6-tetramethyl-
p-Phenylenediamine, 2,3,5,6-tetramethyl-
2,3,5,6-Tetramethyl-1,4-benzenediamine
Diaminodurol
Diaminodurene
1,4-Diamino-2,3,5,6-tetramethylbenzene
Durenediamine
2,3,5,6-Tetramethyl-p-phenylenediamine
2,3,5,6-Tetramethylphenylenediamine
DAD(H)
2,3,5,6-Tetramethyl-1,4-phenylenediamine
Tetramethyl-p-phenylenediamine
NSC 158251
T 1457
1,4-Diaminodurene
Identifiers:
SMILES:
Cc1c(C)c(N)c(C)c(C)c1N
InChI:
InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3
Key Properties
Melting Point
149-150 °C @ Solvent: Water
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 | 164.25 g/mol | CAS Common Chemistry |
| 164.25199999999998 g/mol | RDKit | |
| 164.131348512 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 |
| Molar Refractivity | 54.21480000000001 | RDKit |
