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Molecule
N-Ethyldiethanolamine
CAS: 139-87-7 · C6H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 139-87-7
- Molecular Formula
- C6H15NO2
- Molecular Mass
- 133.19 g/mol
Identifiers
CAS Registry Number
139-87-7
SMILES
CCN(CCO)CCO
InChI Key
AKNUHUCEWALCOI-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3
Names and Synonyms
- N-Ethyldiethanolamine Synonym
- Ethanol, 2,2′-(ethylimino)bis- Synonym
- Ethanol, 2,2′-(ethylimino)di- Synonym
- 2,2′-(Ethylimino)bis[ethanol] Synonym
- Ethyldiethanolamine Synonym
- N-Ethyl-2,2′-iminodiethanol Synonym
- 2,2′-(Ethylimino)diethanol Synonym
- N-Ethyldiethanolamine Synonym
- Diethanolethylamine Synonym
- N,N-Bis(2-hydroxyethyl)ethylamine Synonym
- Ethylbis(2-hydroxyethyl)amine Synonym
- N-Ethyl-N,N-diethanolamine Synonym
- 2-[Ethyl(2-hydroxyethyl)amino]ethanol Synonym
- EDEA Synonym
- Amino Alcohol MED Synonym
- 2,2′-(Ethylazanediyl)diethanol Synonym
- 2-[Ethyl(2-hydroxyethyl)amino]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.19 g/mol | CAS Common Chemistry |
| 133.191 g/mol | RDKit | |
| Boiling Point | 247 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN(CC)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AKNUHUCEWALCOI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C | CAS Common Chemistry |
| Name | N-Ethyldiethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.7 Ų | RDKit |
| 43.47 Ų | chempirical lib | |
| LogP | -0.7071000000000003 | RDKit |
| -0.7071 | RDKit | |
| Molar Refractivity | 36.285599999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 133.11027872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 133.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO2.
