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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 Mass:
97.55 g/mol
Names and Synonyms:
Ethanolamine Hydrochloride
Ethanol, 2-amino-, hydrochloride (1:1)
Ethanol, 2-amino-, hydrochloride
Ethanolamine hydrochloride
Monoethanolamine hydrochloride
2-Aminoethanol hydrochloride
MEA hydrochloride
β-Aminoethanol hydrochloride
Ethanolamine chloride
Colamine hydrochloride
Monoethanolaminium chloride
Identifiers:
SMILES:
Cl.NCCO
InChI:
InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H
Key Properties
Melting Point
82-86 °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 | 97.55 g/mol | CAS Common Chemistry |
| 97.545 g/mol | RDKit | |
| 97.029441556 g/mol | RDKit | |
| Canonical SMILES | Cl.OCCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PMUNIMVZCACZBB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82-86 °C | CAS Common Chemistry |
| Name | Ethanolamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | -0.6408 | RDKit |
| Molar Refractivity | 23.388199999999998 | RDKit |
