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Molecule
2-(Dimethylamino)Ethyl Chloride
CAS: 107-99-3 · C4H10ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 107-99-3
- Molecular Formula
- C4H10ClN
- Molecular Mass
- 107.58 g/mol
Identifiers
CAS Registry Number
107-99-3
SMILES
CN(C)CCCl
InChI Key
WQMAANNAZKNUDL-UHFFFAOYSA-N
InChI
InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3
Names and Synonyms
- 2-(Dimethylamino)Ethyl Chloride Systematic Name
- Ethanamine, 2-chloro-N,N-dimethyl- Synonym
- Ethylamine, 2-chloro-N,N-dimethyl- Synonym
- 2-Chloro-N,N-dimethylethanamine Synonym
- NSC 1917 Synonym
- Dimethyl(2-chloroethyl)amine Synonym
- 2-(Dimethylamino)ethyl chloride Synonym
- 1-Chloro-2-(dimethylamino)ethane Synonym
- Chloro(dimethylamino)ethane Synonym
- Dimethylaminoethyl chloride Synonym
- N-(2-Chloroethyl)dimethylamine Synonym
- N-(2-Chloroethyl)-N,N-dimethylamine Synonym
- 2-Chloro-N,N-dimethylethylamine Synonym
- β-(Dimethylamino)ethyl chloride Synonym
- N,N-Dimethyl-2-chloroethylamine Synonym
- (2-Chloroethyl)dimethylamine Synonym
- N,N-Dimethyl-β-chloroethylamine Synonym
- 2-Chloro-1-(dimethylamino)ethane Synonym
- β-Chloroethyldimethylamine Synonym
- 2-(Dimethylamino)-1-chloroethane Synonym
- β-(N,N-Dimethylamino)ethyl chloride Synonym
- N,N-Dimethyl-N-(2-chloroethyl)amine Synonym
- 1-Dimethylamino-2-chloroethane Synonym
- 2-Chloro-N,N-dimethylaminoethane Synonym
- 2-(N,N-Dimethylamino)-1-chloroethane Synonym
- 1-Chloro-2-N,N-dimethylaminoethane Synonym
- NSC 123444 Synonym
- 2-Chloro-N,N-dimethylethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 107.58 g/mol | CAS Common Chemistry |
| 107.584 g/mol | RDKit | |
| 107.581 g/mol | chempirical lib | |
| 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 0.7867999999999999 | RDKit |
| 0.7868 | RDKit | |
| Molar Refractivity | 29.273999999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 107.05017699999999 g/mol | RDKit |
| Boiling Point | 109 °C @ 750 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 107.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10ClN.
