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Ethanolamine Hydrochloride
CAS: 2002-24-6 | C2H8ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2002-24-6
Molecular Formula:
C2H8ClNO
Molecular Weight:
97.545 g/mol
Names and Synonyms:
Ethanolamine Hydrochloride
Monoethanolaminium chloride
Colamine hydrochloride
Ethanolamine chloride
β-Aminoethanol hydrochloride
MEA hydrochloride
2-Aminoethanol hydrochloride
Monoethanolamine hydrochloride
Ethanolamine hydrochloride
Ethanol, 2-amino-, hydrochloride
Ethanol, 2-amino-, hydrochloride (1:1)
Identifiers:
SMILES:
Cl.NCCO
InChI:
InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;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 |
|---|
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 | 97.545 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 97.029441556 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6408 | RDKit |
| molecular_mass | 97.55 g/mol | Legacy Database |
| cas-canonical-smile | Cl.OCCN None | Legacy Database |
| cas-inchi | InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H None | Legacy Database |
| cas-inchi-key | InChIKey=PMUNIMVZCACZBB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 82-86 °C None | Legacy Database |
| cas-name | Ethanolamine hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.388199999999998 | RDKit |
