Back to Search
Dimethylaminoethyl Chloride Hydrochloride
CAS: 4584-46-7 | C4H11Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4584-46-7
Molecular Formula:
C4H11Cl2N
Molecular Mass:
144.05 g/mol
Names and Synonyms:
Dimethylaminoethyl Chloride Hydrochloride
Ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)
Ethylamine, 2-chloro-N,N-dimethyl-, hydrochloride
Ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride
(β-Chloroethyl)dimethylamine-hydrochloride
N,N-Dimethyl-N-(2-chloroethyl)amine hydrochloride
2-Chloro-N,N-dimethylethylamine hydrochloride
Chloro(dimethylamino)ethane hydrochloride
1-Chloro-2-(dimethylamino)ethane hydrochloride
Dimethylaminoethyl chloride hydrochloride
2-(Dimethylamino)ethyl chloride hydrochloride
2-Chloro-N,N-dimethylethanamine hydrochloride
β-Dimethylaminoethyl chloride hydrochloride
Chloroethyldimethylamine hydrochloride
(2-Chloroethyl)dimethylamine hydrochloride
2-Chloroethyldimethylamine monohydrochloride
N-(2-Chloroethyl)-N,N-dimethylammonium chloride
2-Chloroethyldimethylammonium chloride
2-(Dimethylamino)chloroethane hydrochloride
2-(N,N-Dimethylamino)ethyl chloride hydrochloride
N-(2-Chloroethyl)dimethylamine hydrochloride
N,N-Dimethyl-2-chloroethylamine hydrochloride
2-Chloroethyl-N,N-dimethylamine hydrochloride
1-Chloro-2-N,N-dimethylaminoethane hydrochloride
1-(Dimethylamino)-2-chloroethane hydrochloride
N,N-Dimethyl-2-chloroethanamine hydrochloride
1-Chloro-2-dimethylaminoethane monohydrochloride
N-(2-Chloroethyl)-N,N-dimethylamine hydrochloride
β-Chloroethyl-N,N-dimethylamine hydrochloride
2-Chloro-N,N-dimethylethane amine hydrochloride
2-Chloro-N,N-dimethylethan-1-amine hydrochloride
Identifiers:
SMILES:
CN(C)CCCl.Cl
InChI:
InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
Key Properties
Melting Point
201 °C
CAS Common Chemistry
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 | 144.05 g/mol | CAS Common Chemistry |
| 144.04500000000002 g/mol | RDKit | |
| 143.026854712 g/mol | RDKit | |
| Canonical SMILES | Cl.ClCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=LQLJZSJKRYTKTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 201 °C | CAS Common Chemistry |
| Name | Dimethylaminoethyl chloride hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 1.2086 | RDKit |
| Molar Refractivity | 36.522 | RDKit |
