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Molecule
Dimethylaminoethyl Chloride Hydrochloride
CAS: 4584-46-7 · C4H11Cl2N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4584-46-7
- Molecular Formula
- C4H11Cl2N
- Molecular Mass
- 144.05 g/mol
Identifiers
CAS Registry Number
4584-46-7
SMILES
CN(C)CCCl.Cl
InChI Key
LQLJZSJKRYTKTP-UHFFFAOYSA-N
InChI
InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
Names and Synonyms
- Dimethylaminoethyl Chloride Hydrochloride Common Name
- Ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1) Synonym
- Ethylamine, 2-chloro-N,N-dimethyl-, hydrochloride Synonym
- Ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride Synonym
- (β-Chloroethyl)dimethylamine-hydrochloride Synonym
- N,N-Dimethyl-N-(2-chloroethyl)amine hydrochloride Synonym
- 2-Chloro-N,N-dimethylethylamine hydrochloride Synonym
- Chloro(dimethylamino)ethane hydrochloride Synonym
- 1-Chloro-2-(dimethylamino)ethane hydrochloride Synonym
- Dimethylaminoethyl chloride hydrochloride Synonym
- 2-(Dimethylamino)ethyl chloride hydrochloride Synonym
- 2-Chloro-N,N-dimethylethanamine hydrochloride Synonym
- β-Dimethylaminoethyl chloride hydrochloride Synonym
- Chloroethyldimethylamine hydrochloride Synonym
- (2-Chloroethyl)dimethylamine hydrochloride Synonym
- 2-Chloroethyldimethylamine monohydrochloride Synonym
- N-(2-Chloroethyl)-N,N-dimethylammonium chloride Synonym
- 2-Chloroethyldimethylammonium chloride Synonym
- 2-(Dimethylamino)chloroethane hydrochloride Synonym
- 2-(N,N-Dimethylamino)ethyl chloride hydrochloride Synonym
- N-(2-Chloroethyl)dimethylamine hydrochloride Synonym
- N,N-Dimethyl-2-chloroethylamine hydrochloride Synonym
- 2-Chloroethyl-N,N-dimethylamine hydrochloride Synonym
- 1-Chloro-2-N,N-dimethylaminoethane hydrochloride Synonym
- 1-(Dimethylamino)-2-chloroethane hydrochloride Synonym
- N,N-Dimethyl-2-chloroethanamine hydrochloride Synonym
- 1-Chloro-2-dimethylaminoethane monohydrochloride Synonym
- N-(2-Chloroethyl)-N,N-dimethylamine hydrochloride Synonym
- β-Chloroethyl-N,N-dimethylamine hydrochloride Synonym
- 2-Chloro-N,N-dimethylethane amine hydrochloride Synonym
- 2-Chloro-N,N-dimethylethan-1-amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.05 g/mol | CAS Common Chemistry |
| 144.04500000000002 g/mol | RDKit | |
| 144.045 g/mol | RDKit | |
| 144.039 g/mol | chempirical lib | |
| 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 1.2086 | RDKit |
| Molar Refractivity | 36.522 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.026854712 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 144.05 g/mol. Edit any field — others recompute live.
