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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 Weight:
149.19 g/mol
Names and Synonyms:
Triethanolamine
TEA 99LFG
Tri(2-hydroxyethyl)amine
TEA (amino alcohol)
Tris(β-hydroxyethyl)amine
Trolamine
Triethanolamin
Ethanol, 2,2′,2′′-nitrilotri-
Trolamine 99NF
Tris-amino Ultra PC
Biafine
TEA
Daltogen
Sterolamide
2,2′,2′′-Nitrilotriethanol
2-[Bis(2-hydroxyethyl)amino]ethan-1-ol
TEA 99
TEOA 99
Rhenofit 3555
Alkanolamine 244
Sting-Kill
Tris(2-hydroxyethyl)amine
N,N,N-Tri(2-hydroxyethyl)amine
2-[Bis(2-hydroxyethyl)amino]ethanol
S 80
S 80 (amine)
NSC 36718
tris-(2-Hydroxyethyl)amine
TEOA
Triethanolamine
Nitrilotriethanol
2,2′,2′′-Nitrilotris[ethanol]
Ethanol, 2,2′,2′′-nitrilotris-
Identifiers:
SMILES:
OCCN(CCO)CCO
InChI:
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 149.19 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triethanolamine None | Legacy Database |
| cas-boiling-point | 335.4 °C None | Legacy Database |
| cas-canonical-smile | OCCN(CCO)CCO None | Legacy Database |
| cas-density | 1.0985 g/cm3 @ Temp: 60 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GSEJCLTVZPLZKY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 20.5 °C None | Legacy Database |
| cas-name | Triethanolamine None | Legacy Database |
| wikipedia-name | Triethanolamine None | Legacy Database |
| LogP | -1.734699999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.19 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.10519334 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.93000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.6974 | RDKit |
