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Ethylamine Hydrochloride
CAS: 557-66-4 | C2H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
557-66-4
Molecular Formula:
C2H8ClN
Molecular Weight:
81.54599999999999 g/mol
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
Identifiers:
SMILES:
CCN.Cl
InChI:
InChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 81.54599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 81.03452693599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3868000000000002 | RDKit |
| molecular_mass | 81.55 g/mol | Legacy Database |
| density | 1.22 g/cm³ | Legacy Database |
| cas-canonical-smile | Cl.NCC None | Legacy Database |
| cas-density | 1.22 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=XWBDWHCCBGMXKG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 109.5 °C None | Legacy Database |
| cas-name | Ethylamine hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.9764 | RDKit |