Back to Search
Molecule
Diethylethanolamine
CAS: 100-37-8 · C6H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 100-37-8
- Molecular Formula
- C6H15NO
- Molecular Mass
- 117.19 g/mol
Identifiers
CAS Registry Number
100-37-8
SMILES
CCN(CC)CCO
InChI Key
BFSVOASYOCHEOV-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
Names and Synonyms
- Diethylethanolamine Common Name
- Ethanol, 2-(diethylamino)- Synonym
- 2-(Diethylamino)ethanol Synonym
- (Diethylamino)ethanol Synonym
- Diethylethanolamine Synonym
- 2-Hydroxytriethylamine Synonym
- N,N-Diethylethanolamine Synonym
- Diethyl(β-hydroxyethyl)amine Synonym
- DEAE Synonym
- β-(Diethylamino)ethanol Synonym
- 2-(N,N-Diethylamino)ethanol Synonym
- N,N-Diethyl-2-aminoethanol Synonym
- 2-(Diethylamino)ethyl alcohol Synonym
- Pennad 150 Synonym
- N,N-Diethyl(2-hydroxyethyl)amine Synonym
- N,N-Diethylmonoethanolamine Synonym
- (2-Hydroxyethyl)diethylamine Synonym
- Diethylmonoethanolamine Synonym
- N-(2-Hydroxyethyl)diethylamine Synonym
- MKS Synonym
- DEEA Synonym
- NSC 8759 Synonym
- A 22 Synonym
- A 22 (amine) Synonym
- 2-(N,N-Diethyl)ethanolamine Synonym
- Diethyl(2-hydroxyethyl)amine Synonym
- Amino Alcohol 2A Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.19 g/mol | CAS Common Chemistry |
| 117.192 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8921 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylethanolamine | CAS Common Chemistry |
| Canonical SMILES | OCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BFSVOASYOCHEOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70 °C | CAS Common Chemistry |
| Name | Diethylethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 0.32050000000000006 | RDKit |
| 0.3205 | RDKit | |
| Molar Refractivity | 34.87379999999999 cm³/mol | RDKit |
| Formal Charge | 0 | chempirical lib |
| Fraction Csp3 | 1.0 | RDKit |
| Ring Count | 0 | RDKit |
| Exact Mass | 117.1153641 g/mol | RDKit |
| Boiling Point | 163 °C @ 760 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 117.19 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO.
