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Molecule
2-Chloroethylamine Hydrochloride
CAS: 870-24-6 · C2H7Cl2N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 870-24-6
- Molecular Formula
- C2H7Cl2N
- Molecular Mass
- 115.99 g/mol
Identifiers
CAS Registry Number
870-24-6
SMILES
Cl.NCCCl
InChI Key
ONRREFWJTRBDRA-UHFFFAOYSA-N
InChI
InChI=1S/C2H6ClN.ClH/c3-1-2-4;/h1-2,4H2;1H
Names and Synonyms
- 2-Chloroethylamine Hydrochloride Systematic Name
- Ethanamine, 2-chloro-, hydrochloride (1:1) Synonym
- Ethylamine, 2-chloro-, hydrochloride Synonym
- Ethanamine, 2-chloro-, hydrochloride Synonym
- 2-Chloroethylamine hydrochloride Synonym
- β-Chloroethylamine hydrochloride Synonym
- 1-Amino-2-chloroethane hydrochloride Synonym
- 2-Aminoethyl chloride hydrochloride Synonym
- 2-Chloroethanamine hydrochloride Synonym
- 2-Chloroethylamine monohydrochloride Synonym
- 2-Chloroethan-1-amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.99 g/mol | CAS Common Chemistry |
| 115.99100000000001 g/mol | RDKit | |
| 115.991 g/mol | RDKit | |
| 115.985 g/mol | chempirical lib | |
| 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 |
| 0.6057 | RDKit | |
| Molar Refractivity | 27.022399999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.99555458399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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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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.
External Resources
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MW = 115.99 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H7Cl2N.
