Back to Search
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
Names and Synonyms:
Diethylethanolamine
Ethanol, 2-(diethylamino)-
2-(Diethylamino)ethanol
(Diethylamino)ethanol
Diethylethanolamine
2-Hydroxytriethylamine
N,N-Diethylethanolamine
Diethyl(β-hydroxyethyl)amine
DEAE
β-(Diethylamino)ethanol
2-(N,N-Diethylamino)ethanol
N,N-Diethyl-2-aminoethanol
2-(Diethylamino)ethyl alcohol
Pennad 150
N,N-Diethyl(2-hydroxyethyl)amine
N,N-Diethylmonoethanolamine
(2-Hydroxyethyl)diethylamine
Diethylmonoethanolamine
N-(2-Hydroxyethyl)diethylamine
MKS
DEEA
NSC 8759
A 22
A 22 (amine)
2-(N,N-Diethyl)ethanolamine
Diethyl(2-hydroxyethyl)amine
Amino Alcohol 2A
Identifiers:
SMILES:
CCN(CC)CCO
InChI:
InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
Key Properties
Boiling Point
163 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-70 °C
CAS Common Chemistry
Density
0.89 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 | 117.19 g/mol | CAS Common Chemistry |
| 117.192 g/mol | RDKit | |
| 117.1153641 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8921 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylethanolamine | CAS Common Chemistry |
| Boiling Point | 163 °C @ Press: 760 Torr | 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 |
| LogP | 0.32050000000000006 | RDKit |
| Molar Refractivity | 34.87379999999999 | RDKit |
