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Molecule
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
Identifiers
CAS Registry Number
2002-24-6
SMILES
Cl.NCCO
InChI Key
PMUNIMVZCACZBB-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H
Names and Synonyms
- Ethanolamine Hydrochloride Common Name
- Ethanol, 2-amino-, hydrochloride (1:1) Synonym
- Ethanol, 2-amino-, hydrochloride Synonym
- Ethanolamine hydrochloride Synonym
- Monoethanolamine hydrochloride Synonym
- 2-Aminoethanol hydrochloride Synonym
- MEA hydrochloride Synonym
- β-Aminoethanol hydrochloride Synonym
- Ethanolamine chloride Synonym
- Colamine hydrochloride Synonym
- Monoethanolaminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.55 g/mol | CAS Common Chemistry |
| 97.545 g/mol | RDKit | |
| 97.542 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 97.029441556 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 97.55 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H8ClNO.
