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Molecule
Ethylamine Hydrochloride
CAS: 557-66-4 · C2H8ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 557-66-4
- Molecular Formula
- C2H8ClN
- Molecular Mass
- 81.55 g/mol
Identifiers
CAS Registry Number
557-66-4
SMILES
CCN.Cl
InChI Key
XWBDWHCCBGMXKG-UHFFFAOYSA-N
InChI
InChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H
Names and Synonyms
- Ethylamine Hydrochloride Synonym
- Ethanamine, hydrochloride (1:1) Synonym
- Ethylamine, hydrochloride Synonym
- Ethanamine, hydrochloride Synonym
- Ethylammonium chloride Synonym
- Monoethylammonium chloride Synonym
- N-Ethylammonium chloride Synonym
- Ethylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 81.55 g/mol | CAS Common Chemistry |
| 81.54599999999999 g/mol | RDKit | |
| 81.546 g/mol | RDKit | |
| 81.543 g/mol | chempirical lib | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.22 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.NCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XWBDWHCCBGMXKG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109.5 °C | CAS Common Chemistry |
| Name | Ethylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.3868000000000002 | RDKit |
| 0.3868 | RDKit | |
| Molar Refractivity | 21.9764 cm³/mol | RDKit |
| Formal Charge | 0 | RDKit |
| Ring Count | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 81.03452693599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 81.55 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H8ClN.
