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Triethanolamine Hydrochloride
CAS: 637-39-8 | C6H16ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
637-39-8
Molecular Formula:
C6H16ClNO3
Molecular Mass:
185.65 g/mol
Names and Synonyms:
Triethanolamine Hydrochloride
Ethanol, 2,2′,2′′-nitrilotris-, hydrochloride (1:1)
Ethanol, 2,2′,2′′-nitrilotri-, hydrochloride
Ethanol, 2,2′,2′′-nitrilotris-, hydrochloride
Triethanolamine hydrochloride
Triethanolammonium chloride
2-[Bis(2-hydroxyethyl)amino]ethanol hydrochloride
Tris(2-hydroxyethyl)amine hydrochloride
Triethanolamine hydrochloric acid salt
Tris(2-hydroxyethyl)ammonium chloride
Identifiers:
SMILES:
Cl.OCCN(CCO)CCO
InChI:
InChI=1S/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
Key Properties
Melting Point
177 °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 | 185.65 g/mol | CAS Common Chemistry |
| 185.651 g/mol | RDKit | |
| 185.081871052 g/mol | RDKit | |
| Canonical SMILES | Cl.OCCN(CCO)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HHLJUSLZGFYWKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 177 °C | CAS Common Chemistry |
| Name | Triethanolamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.93000000000001 Ų | RDKit |
| LogP | -1.3128999999999995 | RDKit |
| Molar Refractivity | 44.94540000000002 | RDKit |
