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Triethanolamine
CAS: 102-71-6 | C6H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-71-6
Molecular Formula:
C6H15NO3
Molecular Mass:
149.19 g/mol
Names and Synonyms:
Triethanolamine
Ethanol, 2,2′,2′′-nitrilotris-
Ethanol, 2,2′,2′′-nitrilotri-
2,2′,2′′-Nitrilotris[ethanol]
2,2′,2′′-Nitrilotriethanol
Sterolamide
Triethanolamin
Daltogen
Tris(2-hydroxyethyl)amine
Trolamine
Nitrilotriethanol
Sting-Kill
Tris(β-hydroxyethyl)amine
TEA
Alkanolamine 244
TEA (amino alcohol)
Triethanolamine
TEOA
tris-(2-Hydroxyethyl)amine
Biafine
NSC 36718
S 80 (amine)
S 80
2-[Bis(2-hydroxyethyl)amino]ethanol
Tris-amino Ultra PC
Tri(2-hydroxyethyl)amine
TEA 99LFG
N,N,N-Tri(2-hydroxyethyl)amine
Rhenofit 3555
TEOA 99
TEA 99
Trolamine 99NF
2-[Bis(2-hydroxyethyl)amino]ethan-1-ol
Identifiers:
SMILES:
OCCN(CCO)CCO
InChI:
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
Key Properties
Boiling Point
335.4 °C
CAS Common Chemistry
Melting Point
20.5 °C
CAS Common Chemistry
Density
1.10 g/cm³
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 | 149.19 g/mol | CAS Common Chemistry |
| 149.10519334 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0985 g/cm3 @ Temp: 60 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethanolamine | CAS Common Chemistry |
| Boiling Point | 335.4 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN(CCO)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GSEJCLTVZPLZKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20.5 °C | CAS Common Chemistry |
| Name | Triethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | -1.734699999999999 | RDKit |
| Molar Refractivity | 37.6974 | RDKit |
