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Molecule
Triethanolamine
CAS: 102-71-6 · C6H15NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 102-71-6
- Molecular Formula
- C6H15NO3
- Molecular Mass
- 149.19 g/mol
Identifiers
CAS Registry Number
102-71-6
SMILES
OCCN(CCO)CCO
InChI Key
GSEJCLTVZPLZKY-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
Names and Synonyms
- Triethanolamine Common Name
- Biafine Synonym
- NSC 36718 Synonym
- S 80 (amine) Synonym
- S 80 Synonym
- Ethanol, 2,2′,2′′-nitrilotris- Synonym
- Ethanol, 2,2′,2′′-nitrilotri- Synonym
- 2,2′,2′′-Nitrilotris[ethanol] Synonym
- 2,2′,2′′-Nitrilotriethanol Synonym
- Sterolamide Synonym
- Triethanolamin Synonym
- Daltogen Synonym
- Tris(2-hydroxyethyl)amine Synonym
- Trolamine Synonym
- Nitrilotriethanol Synonym
- Sting-Kill Synonym
- Tris(β-hydroxyethyl)amine Synonym
- TEA Synonym
- Alkanolamine 244 Synonym
- TEA (amino alcohol) Synonym
- Triethanolamine Synonym
- TEOA Synonym
- tris-(2-Hydroxyethyl)amine Synonym
- 2-[Bis(2-hydroxyethyl)amino]ethanol Synonym
- Tris-amino Ultra PC Synonym
- Tri(2-hydroxyethyl)amine Synonym
- TEA 99LFG Synonym
- N,N,N-Tri(2-hydroxyethyl)amine Synonym
- Rhenofit 3555 Synonym
- TEOA 99 Synonym
- TEA 99 Synonym
- Trolamine 99NF Synonym
- 2-[Bis(2-hydroxyethyl)amino]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.19 g/mol | CAS Common Chemistry |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0985 g/cm3 @ 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 |
| 63.93 Ų | RDKit | |
| 63.7 Ų | chempirical lib | |
| LogP | -1.734699999999999 | RDKit |
| -1.7347 | RDKit | |
| Molar Refractivity | 37.6974 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 149.10519334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 149.19 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO3.
