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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 Weight:
144.04500000000002 g/mol
Names and Synonyms:
Dimethylaminoethyl Chloride Hydrochloride
2-Chloro-N,N-dimethylethan-1-amine hydrochloride
2-Chloro-N,N-dimethylethane amine hydrochloride
β-Chloroethyl-N,N-dimethylamine hydrochloride
N-(2-Chloroethyl)-N,N-dimethylamine hydrochloride
1-Chloro-2-dimethylaminoethane monohydrochloride
N,N-Dimethyl-2-chloroethanamine hydrochloride
1-(Dimethylamino)-2-chloroethane hydrochloride
1-Chloro-2-N,N-dimethylaminoethane hydrochloride
2-Chloroethyl-N,N-dimethylamine hydrochloride
N,N-Dimethyl-2-chloroethylamine hydrochloride
N-(2-Chloroethyl)dimethylamine hydrochloride
2-(N,N-Dimethylamino)ethyl chloride hydrochloride
2-(Dimethylamino)chloroethane hydrochloride
2-Chloroethyldimethylammonium chloride
N-(2-Chloroethyl)-N,N-dimethylammonium chloride
2-Chloroethyldimethylamine monohydrochloride
(2-Chloroethyl)dimethylamine hydrochloride
Chloroethyldimethylamine hydrochloride
β-Dimethylaminoethyl chloride hydrochloride
2-Chloro-N,N-dimethylethanamine hydrochloride
2-(Dimethylamino)ethyl chloride hydrochloride
Dimethylaminoethyl chloride hydrochloride
1-Chloro-2-(dimethylamino)ethane hydrochloride
Chloro(dimethylamino)ethane hydrochloride
2-Chloro-N,N-dimethylethylamine hydrochloride
N,N-Dimethyl-N-(2-chloroethyl)amine hydrochloride
(β-Chloroethyl)dimethylamine-hydrochloride
Ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride
Ethylamine, 2-chloro-N,N-dimethyl-, hydrochloride
Ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)
Identifiers:
SMILES:
CN(C)CCCl.Cl
InChI:
InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;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 |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
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.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 144.04500000000002 g/mol | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 144.05 g/mol | Legacy Database |
cas-canonical-smile | Cl.ClCCN(C)C None | Legacy Database |
cas-inchi | InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H None | Legacy Database |
cas-inchi-key | InChIKey=LQLJZSJKRYTKTP-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 201 °C None | Legacy Database |
cas-name | Dimethylaminoethyl chloride hydrochloride None | Legacy Database |
LogP | 1.2086 | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 143.026854712 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 7 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 2 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 3.24 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 36.522 | RDKit |