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2-[2-(Diethylamino)Ethoxy]Ethanol
CAS: 140-82-9 | C8H19NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-82-9
Molecular Formula:
C8H19NO2
Molecular Mass:
161.25 g/mol
Names and Synonyms:
2-[2-(Diethylamino)Ethoxy]Ethanol
Ethanol, 2-[2-(diethylamino)ethoxy]-
Ethanol, 2-(β-diethylaminoethoxy)-
2-[2-(Diethylamino)ethoxy]ethanol
2-(β-Diethylamino)ethoxyethanol
2-[2-(N,N-Diethylamino)ethoxy]ethanol
Diethyl[2-(2-hydroxyethoxy)ethyl]amine
NSC 163322
DEAE-EO
2-[2′-(Diethylamino)ethoxy]ethanol
2-[2-(Diethylamino)ethoxy]ethan-1-ol
Identifiers:
SMILES:
CCN(CC)CCOCCO
InChI:
InChI=1S/C8H19NO2/c1-3-9(4-2)5-7-11-8-6-10/h10H,3-8H2,1-2H3
Key Properties
Boiling Point
221.5 °C
CAS Common Chemistry
Density
0.94 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 | 161.25 g/mol | CAS Common Chemistry |
| 161.24499999999998 g/mol | RDKit | |
| 161.141578848 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9399 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 221.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H19NO2/c1-3-9(4-2)5-7-11-8-6-10/h10H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VKBVRNHODPFVHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[2-(Diethylamino)ethoxy]ethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.7 Ų | RDKit |
| LogP | 0.3371 | RDKit |
| Molar Refractivity | 45.69280000000002 | RDKit |
