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2-Chloroethylamine Hydrochloride
CAS: 870-24-6 | C2H7Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
870-24-6
Molecular Formula:
C2H7Cl2N
Molecular Mass:
115.99 g/mol
Names and Synonyms:
2-Chloroethylamine Hydrochloride
Ethanamine, 2-chloro-, hydrochloride (1:1)
Ethylamine, 2-chloro-, hydrochloride
Ethanamine, 2-chloro-, hydrochloride
2-Chloroethylamine hydrochloride
β-Chloroethylamine hydrochloride
1-Amino-2-chloroethane hydrochloride
2-Aminoethyl chloride hydrochloride
2-Chloroethanamine hydrochloride
2-Chloroethylamine monohydrochloride
2-Chloroethan-1-amine hydrochloride
Identifiers:
SMILES:
Cl.NCCCl
InChI:
InChI=1S/C2H6ClN.ClH/c3-1-2-4;/h1-2,4H2;1H
Key Properties
Melting Point
144 °C
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 | 115.99 g/mol | CAS Common Chemistry |
| 115.99100000000001 g/mol | RDKit | |
| 114.99555458399999 g/mol | RDKit | |
| Canonical SMILES | Cl.ClCCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H6ClN.ClH/c3-1-2-4;/h1-2,4H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ONRREFWJTRBDRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C | CAS Common Chemistry |
| Name | 2-Chloroethylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.6057000000000001 | RDKit |
| Molar Refractivity | 27.022399999999998 | RDKit |
