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2-(Dimethylamino)Ethyl Chloride
CAS: 107-99-3 | C4H10ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-99-3
Molecular Formula:
C4H10ClN
Molecular Mass:
107.58 g/mol
Names and Synonyms:
2-(Dimethylamino)Ethyl Chloride
Ethanamine, 2-chloro-N,N-dimethyl-
Ethylamine, 2-chloro-N,N-dimethyl-
2-Chloro-N,N-dimethylethanamine
NSC 1917
Dimethyl(2-chloroethyl)amine
2-(Dimethylamino)ethyl chloride
1-Chloro-2-(dimethylamino)ethane
Chloro(dimethylamino)ethane
Dimethylaminoethyl chloride
N-(2-Chloroethyl)dimethylamine
N-(2-Chloroethyl)-N,N-dimethylamine
2-Chloro-N,N-dimethylethylamine
β-(Dimethylamino)ethyl chloride
N,N-Dimethyl-2-chloroethylamine
(2-Chloroethyl)dimethylamine
N,N-Dimethyl-β-chloroethylamine
2-Chloro-1-(dimethylamino)ethane
β-Chloroethyldimethylamine
2-(Dimethylamino)-1-chloroethane
β-(N,N-Dimethylamino)ethyl chloride
N,N-Dimethyl-N-(2-chloroethyl)amine
1-Dimethylamino-2-chloroethane
2-Chloro-N,N-dimethylaminoethane
2-(N,N-Dimethylamino)-1-chloroethane
1-Chloro-2-N,N-dimethylaminoethane
NSC 123444
2-Chloro-N,N-dimethylethan-1-amine
Identifiers:
SMILES:
CN(C)CCCl
InChI:
InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3
Key Properties
Boiling Point
109 °C @ Press: 750 Torr
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 | 107.58 g/mol | CAS Common Chemistry |
| 107.584 g/mol | RDKit | |
| 107.05017699999999 g/mol | RDKit | |
| Boiling Point | 109 °C @ Press: 750 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WQMAANNAZKNUDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Dimethylamino)ethyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.7867999999999999 | RDKit |
| Molar Refractivity | 29.273999999999987 | RDKit |
