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Molecule
N,N-Dimethyl-P-Phenylenediamine Dihydrochloride
CAS: 536-46-9 · C8H14Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 536-46-9
- Molecular Formula
- C8H14Cl2N2
- Molecular Mass
- 209.12 g/mol
Identifiers
CAS Registry Number
536-46-9
SMILES
CN(C)c1ccc(N)cc1.Cl.Cl
InChI Key
IAEDWDXMFDKWFU-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H
Names and Synonyms
- N,N-Dimethyl-P-Phenylenediamine Dihydrochloride Synonym
- 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:2) Synonym
- p-Phenylenediamine, N,N-dimethyl-, dihydrochloride Synonym
- 1,4-Benzenediamine, N,N-dimethyl-, dihydrochloride Synonym
- p-Dimethylaminoaniline dihydrochloride Synonym
- N,N-Dimethyl-p-phenylenediamine dihydrochloride Synonym
- 4-(Dimethylamino)aniline dihydrochloride Synonym
- N,N-Dimethyl-p-phenylenediammonium chloride Synonym
- N,N-Dimethyl-1,4-phenylenediamine dihydrochloride Synonym
- (4-Dimethylaminophenyl)amine dihydrochloride Synonym
- N,N-Dimethylbenzene-1,4-diamine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.12 g/mol | CAS Common Chemistry |
| 209.114 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=IAEDWDXMFDKWFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethyl-p-phenylenediamine dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 2.1784 | RDKit |
| Molar Refractivity | 59.67740000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 208.05340380799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 209.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14Cl2N2.
