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1,3-Benzenediamine, N1,N1-Dimethyl-, Hydrochloride (1:2)
CAS: 3575-32-4 | C8H14Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3575-32-4
Molecular Formula:
C8H14Cl2N2
Molecular Mass:
209.12 g/mol
Names and Synonyms:
1,3-Benzenediamine, N1,N1-Dimethyl-, Hydrochloride (1:2)
1,3-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:2)
m-Phenylenediamine, N,N-dimethyl-, dihydrochloride
1,3-Benzenediamine, N,N-dimethyl-, dihydrochloride
N,N-Dimethyl-m-phenylenediamine dihydrochloride
N,N-Dimethyl-1,3-benzenediamine dihydrochloride
N,N-Dimethyl-1,3-phenylenediamine dihydrochloride
3-Dimethylaminoaniline dihydrochloride
N1,N1-Dimethyl-1,3-phenylenediamine dihydrochloride
Identifiers:
SMILES:
CN(C)c1cccc(N)c1.Cl.Cl
InChI:
InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-4-7(9)6-8;;/h3-6H,9H2,1-2H3;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 | 209.12 g/mol | CAS Common Chemistry |
| 208.05340380799998 g/mol | RDKit | |
| Canonical SMILES | Cl.NC1=CC=CC(=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-4-7(9)6-8;;/h3-6H,9H2,1-2H3;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=BZJPIQKDEGXVFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:2) | 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 |
| LogP | 2.1784 | RDKit |
| Molar Refractivity | 59.67740000000003 | RDKit |
