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Molecule
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
Identifiers
CAS Registry Number
869-24-9
SMILES
CCN(CC)CCCl.Cl
InChI Key
RAGSWDIQBBZLLL-UHFFFAOYSA-N
InChI
InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
Names and Synonyms
- 2-(Diethylamino)Ethyl Chloride Hydrochloride Synonym
- N,N-Diethyl-2-chloroethylamine hydrochloride Synonym
- β-(Diethylamino)ethyl chloride hydrochloride Synonym
- N,N-Diethyl-β-chloroethylamine hydrochloride Synonym
- 2-Chloro-N,N-diethylethylamine hydrochloride Synonym
- 1-Chloro-2-(diethylamino)ethane hydrochloride Synonym
- (N,N-Diethylamino)ethyl chloride hydrochloride Synonym
- 2-Chlorotriethylamine hydrochloride Synonym
- 2-(Diethylamino)ethyl chloride hydrochloride Synonym
- (2-Chloroethyl)diethylamine monohydrochloride Synonym
- 2-Chloroethyl-N,N-diethylamine hydrochloride Synonym
- N-2-Chloroethyl-N,N-diethylammonium hydrochloride Synonym
- 2-Chloroethyldiethylammonium chloride Synonym
- 2-(Diethylamino)ethyl chloride hydrochloric acid salt Synonym
- N-(2-Chloroethyl)diethylamine hydrochloride Synonym
- 2-(N,N-Diethylamino)ethyl chloride hydrochloride Synonym
- 2-Diethylaminoethyl chloride monohydrochloride Synonym
- 1-Chloro-2-(N,N-diethylamino)ethane hydrochloride Synonym
- 2-Chloro-N,N-diethylethanamine hydrochloride Synonym
- Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride (1:1) Synonym
- Triethylamine, 2-chloro-, hydrochloride Synonym
- Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride Synonym
- β-Chloroethyldiethylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.10 g/mol | CAS Common Chemistry |
| 172.09900000000002 g/mol | RDKit | |
| 172.099 g/mol | RDKit | |
| 172.093 g/mol | chempirical lib | |
| 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 1.9888 | RDKit |
| Molar Refractivity | 45.75600000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 171.05815484 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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.
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MW = 172.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15Cl2N.
