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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 Weight:
107.584 g/mol
Names and Synonyms:
2-(Dimethylamino)Ethyl Chloride
2-Chloro-N,N-dimethylethan-1-amine
NSC 123444
1-Chloro-2-N,N-dimethylaminoethane
2-(N,N-Dimethylamino)-1-chloroethane
2-Chloro-N,N-dimethylaminoethane
1-Dimethylamino-2-chloroethane
N,N-Dimethyl-N-(2-chloroethyl)amine
β-(N,N-Dimethylamino)ethyl chloride
2-(Dimethylamino)-1-chloroethane
β-Chloroethyldimethylamine
2-Chloro-1-(dimethylamino)ethane
N,N-Dimethyl-β-chloroethylamine
(2-Chloroethyl)dimethylamine
N,N-Dimethyl-2-chloroethylamine
β-(Dimethylamino)ethyl chloride
2-Chloro-N,N-dimethylethylamine
N-(2-Chloroethyl)-N,N-dimethylamine
N-(2-Chloroethyl)dimethylamine
Dimethylaminoethyl chloride
Chloro(dimethylamino)ethane
1-Chloro-2-(dimethylamino)ethane
2-(Dimethylamino)ethyl chloride
Dimethyl(2-chloroethyl)amine
NSC 1917
2-Chloro-N,N-dimethylethanamine
Ethylamine, 2-chloro-N,N-dimethyl-
Ethanamine, 2-chloro-N,N-dimethyl-
Identifiers:
SMILES:
CN(C)CCCl
InChI:
InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3
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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 107.58 g/mol | Legacy Database |
cas-boiling-point | 109 °C @ Press: 750 Torr None | Legacy Database |
cas-canonical-smile | ClCCN(C)C None | Legacy Database |
cas-inchi | InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3 None | Legacy Database |
cas-inchi-key | InChIKey=WQMAANNAZKNUDL-UHFFFAOYSA-N None | Legacy Database |
cas-name | 2-(Dimethylamino)ethyl chloride None | Legacy Database |
LogP | 0.7867999999999999 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 107.584 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 107.05017699999999 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 6 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 | 29.273999999999987 | RDKit |