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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 Weight:
117.192 g/mol
Names and Synonyms:
Diethylethanolamine
DEEA
MKS
Pennad 150
DEAE
Ethanol, 2-(diethylamino)-
Amino Alcohol 2A
A 22
(2-Hydroxyethyl)diethylamine
N,N-Diethyl(2-hydroxyethyl)amine
N,N-Diethyl-2-aminoethanol
2-(N,N-Diethylamino)ethanol
Diethyl(β-hydroxyethyl)amine
Diethyl(2-hydroxyethyl)amine
2-(N,N-Diethyl)ethanolamine
A 22 (amine)
NSC 8759
N,N-Diethylmonoethanolamine
β-(Diethylamino)ethanol
2-Hydroxytriethylamine
(Diethylamino)ethanol
N-(2-Hydroxyethyl)diethylamine
Diethylmonoethanolamine
2-(Diethylamino)ethyl alcohol
N,N-Diethylethanolamine
Diethylethanolamine
2-(Diethylamino)ethanol
Identifiers:
SMILES:
CCN(CC)CCO
InChI:
InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 117.192 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.1153641 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.47 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.32050000000000006 | RDKit |
| molecular_mass | 117.19 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Diethylethanolamine None | Legacy Database |
| cas-boiling-point | 163 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OCCN(CC)CC None | Legacy Database |
| cas-density | 0.8921 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BFSVOASYOCHEOV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -70 °C None | Legacy Database |
| cas-name | Diethylethanolamine None | Legacy Database |
| wikipedia-name | Diethylethanolamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.87379999999999 | RDKit |
