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Tetramethyl-P-Phenylenediamine Dihydrochloride
CAS: 637-01-4 | C10H18Cl2N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
637-01-4
Molecular Formula:
C10H18Cl2N2
Molecular Mass:
237.17 g/mol
Names and Synonyms:
Tetramethyl-P-Phenylenediamine Dihydrochloride
1,4-Benzenediamine, N1,N1,N4,N4-tetramethyl-, hydrochloride (1:2)
p-Phenylenediamine, N,N,N′,N′-tetramethyl-, dihydrochloride
1,4-Benzenediamine, N,N,N′,N′-tetramethyl-, dihydrochloride
Wurster's reagent dihydrochloride
N,N,N′,N′-Tetramethyl-p-phenylenediamine dihydrochloride
Tetramethyl-p-phenylenediamine dihydrochloride
N,N,N′,N′-Tetramethyl-1,4-phenylenediamine dihydrochloride
N,N,N′,N′-Tetramethyl-1,4-benzenediamine dihydrochloride
1,4-Bis(dimethylamino)benzene dihydrochloride
Identifiers:
SMILES:
CN(C)c1ccc(N(C)C)cc1.Cl.Cl
InChI:
InChI=1S/C10H16N2.2ClH/c1-11(2)9-5-7-10(8-6-9)12(3)4;;/h5-8H,1-4H3;2*1H
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 | 237.17 g/mol | CAS Common Chemistry |
| 237.174 g/mol | RDKit | |
| 236.08470393599998 g/mol | RDKit | |
| Canonical SMILES | Cl.C=1C=C(C=CC1N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2.2ClH/c1-11(2)9-5-7-10(8-6-9)12(3)4;;/h5-8H,1-4H3;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=FBHKTSXMTASXFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetramethyl-p-phenylenediamine dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 2.662200000000002 | RDKit |
| Molar Refractivity | 69.59200000000003 | RDKit |
