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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
Names and Synonyms:
N-Ethyldiethanolamine
Ethanol, 2,2′-(ethylimino)bis-
Ethanol, 2,2′-(ethylimino)di-
2,2′-(Ethylimino)bis[ethanol]
Ethyldiethanolamine
N-Ethyl-2,2′-iminodiethanol
2,2′-(Ethylimino)diethanol
N-Ethyldiethanolamine
Diethanolethylamine
N,N-Bis(2-hydroxyethyl)ethylamine
Ethylbis(2-hydroxyethyl)amine
N-Ethyl-N,N-diethanolamine
2-[Ethyl(2-hydroxyethyl)amino]ethanol
EDEA
Amino Alcohol MED
2,2′-(Ethylazanediyl)diethanol
2-[Ethyl(2-hydroxyethyl)amino]ethan-1-ol
Identifiers:
SMILES:
CCN(CCO)CCO
InChI:
InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3
Key Properties
Boiling Point
247 °C
CAS Common Chemistry
Melting Point
-50 °C
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 | 133.19 g/mol | CAS Common Chemistry |
| 133.191 g/mol | RDKit | |
| 133.11027872 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 |
| LogP | -0.7071000000000003 | RDKit |
| Molar Refractivity | 36.285599999999995 | RDKit |
