Back to Search
1,4-Benzenediamine, N4,N4-Diethyl-2-Methyl-, Hydrochloride (1:1)
CAS: 2051-79-8 | C11H19ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2051-79-8
Molecular Formula:
C11H19ClN2
Molecular Mass:
214.74 g/mol
Names and Synonyms:
1,4-Benzenediamine, N4,N4-Diethyl-2-Methyl-, Hydrochloride (1:1)
1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, hydrochloride (1:1)
Toluene-2,5-diamine, N5,N5-diethyl-, monohydrochloride
1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride
3-Methyl-4-amino-N,N-diethylaniline hydrochloride
2-Amino-5-(diethylamino)toluene monohydrochloride
3-Methyl-4-amino-N,N-diethylaniline monohydrochloride
CD 2
PPD 2
CD 2 (amine)
4-(Diethylamino)-2-methylaniline monohydrochloride
N′,N′-Diethyl-2-methyl-1,4-phenylenediamine monohydrochloride
4-Amino-N,N-diethyl-m-toluidine hydrochloride
Identifiers:
SMILES:
CCN(CC)c1ccc(N)c(C)c1.Cl
InChI:
InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;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 | 214.74 g/mol | CAS Common Chemistry |
| 214.73999999999998 g/mol | RDKit | |
| 214.12367628799998 g/mol | RDKit | |
| Canonical SMILES | Cl.NC1=CC=C(C=C1C)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=MPLZNPZPPXERDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 2.8452200000000007 | RDKit |
| Molar Refractivity | 66.40040000000003 | RDKit |
