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Molecule
2-[2-(Diethylamino)Ethoxy]Ethanol
CAS: 140-82-9 · C8H19NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 140-82-9
- Molecular Formula
- C8H19NO2
- Molecular Mass
- 161.25 g/mol
Identifiers
CAS Registry Number
140-82-9
SMILES
CCN(CC)CCOCCO
InChI Key
VKBVRNHODPFVHK-UHFFFAOYSA-N
InChI
InChI=1S/C8H19NO2/c1-3-9(4-2)5-7-11-8-6-10/h10H,3-8H2,1-2H3
Names and Synonyms
- 2-[2-(Diethylamino)Ethoxy]Ethanol Synonym
- Ethanol, 2-[2-(diethylamino)ethoxy]- Synonym
- Ethanol, 2-(β-diethylaminoethoxy)- Synonym
- 2-[2-(Diethylamino)ethoxy]ethanol Synonym
- 2-(β-Diethylamino)ethoxyethanol Synonym
- 2-[2-(N,N-Diethylamino)ethoxy]ethanol Synonym
- Diethyl[2-(2-hydroxyethoxy)ethyl]amine Synonym
- NSC 163322 Synonym
- DEAE-EO Synonym
- 2-[2′-(Diethylamino)ethoxy]ethanol Synonym
- 2-[2-(Diethylamino)ethoxy]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.25 g/mol | CAS Common Chemistry |
| 161.24499999999998 g/mol | RDKit | |
| 161.245 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9399 g/cm3 @ 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 |
| 32.47 Ų | chempirical lib | |
| LogP | 0.3371 | RDKit |
| Molar Refractivity | 45.69280000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 161.141578848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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140
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| Shift (ppm) | DEPT | Assignment |
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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 = 161.25 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19NO2.
