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2-(Diethylamino)Ethyl Chloride Hydrochloride
CAS: 869-24-9 | C6H15Cl2N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
869-24-9
Molecular Formula:
C6H15Cl2N
Molecular Mass:
172.10 g/mol
Names and Synonyms:
2-(Diethylamino)Ethyl Chloride Hydrochloride
N,N-Diethyl-2-chloroethylamine hydrochloride
β-(Diethylamino)ethyl chloride hydrochloride
N,N-Diethyl-β-chloroethylamine hydrochloride
2-Chloro-N,N-diethylethylamine hydrochloride
1-Chloro-2-(diethylamino)ethane hydrochloride
(N,N-Diethylamino)ethyl chloride hydrochloride
2-Chlorotriethylamine hydrochloride
2-(Diethylamino)ethyl chloride hydrochloride
(2-Chloroethyl)diethylamine monohydrochloride
2-Chloroethyl-N,N-diethylamine hydrochloride
N-2-Chloroethyl-N,N-diethylammonium hydrochloride
2-Chloroethyldiethylammonium chloride
2-(Diethylamino)ethyl chloride hydrochloric acid salt
N-(2-Chloroethyl)diethylamine hydrochloride
2-(N,N-Diethylamino)ethyl chloride hydrochloride
2-Diethylaminoethyl chloride monohydrochloride
1-Chloro-2-(N,N-diethylamino)ethane hydrochloride
2-Chloro-N,N-diethylethanamine hydrochloride
Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride (1:1)
Triethylamine, 2-chloro-, hydrochloride
Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride
β-Chloroethyldiethylamine hydrochloride
Identifiers:
SMILES:
CCN(CC)CCCl.Cl
InChI:
InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
Key Properties
Melting Point
212 °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 | 172.10 g/mol | CAS Common Chemistry |
| 172.09900000000002 g/mol | RDKit | |
| 171.05815484 g/mol | RDKit | |
| Canonical SMILES | Cl.ClCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=RAGSWDIQBBZLLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212 °C | CAS Common Chemistry |
| Name | 2-(Diethylamino)ethyl chloride hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 1.9888 | RDKit |
| Molar Refractivity | 45.75600000000003 | RDKit |
