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Molecule
Tetramethyl-P-Phenylenediamine Dihydrochloride
CAS: 637-01-4 · C10H18Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 637-01-4
- Molecular Formula
- C10H18Cl2N2
- Molecular Mass
- 237.17 g/mol
Identifiers
CAS Registry Number
637-01-4
SMILES
CN(C)c1ccc(N(C)C)cc1.Cl.Cl
InChI Key
FBHKTSXMTASXFJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2.2ClH/c1-11(2)9-5-7-10(8-6-9)12(3)4;;/h5-8H,1-4H3;2*1H
Names and Synonyms
- Tetramethyl-P-Phenylenediamine Dihydrochloride Common Name
- 1,4-Benzenediamine, N1,N1,N4,N4-tetramethyl-, hydrochloride (1:2) Synonym
- p-Phenylenediamine, N,N,N′,N′-tetramethyl-, dihydrochloride Synonym
- 1,4-Benzenediamine, N,N,N′,N′-tetramethyl-, dihydrochloride Synonym
- Wurster's reagent dihydrochloride Synonym
- N,N,N′,N′-Tetramethyl-p-phenylenediamine dihydrochloride Synonym
- Tetramethyl-p-phenylenediamine dihydrochloride Synonym
- N,N,N′,N′-Tetramethyl-1,4-phenylenediamine dihydrochloride Synonym
- N,N,N′,N′-Tetramethyl-1,4-benzenediamine dihydrochloride Synonym
- 1,4-Bis(dimethylamino)benzene dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.17 g/mol | CAS Common Chemistry |
| 237.174 g/mol | RDKit | |
| 237.168 g/mol | chempirical lib | |
| 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 |
| 6.02 Ų | chempirical lib | |
| LogP | 2.662200000000002 | RDKit |
| 2.6622 | RDKit | |
| Molar Refractivity | 69.59200000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 236.08470393599998 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.
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MW = 237.17 g/mol. Edit any field — others recompute live.
