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2-(Ethylamino)Ethanol
CAS: 110-73-6 | C4H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-73-6
Molecular Formula:
C4H11NO
Molecular Mass:
89.14 g/mol
Names and Synonyms:
2-(Ethylamino)Ethanol
Ethanol, 2-(ethylamino)-
2-(Ethylamino)ethanol
N-Ethylmonoethanolamine
2-(Monoethylamino)ethanol
N-Ethylethanolamine
(2-Hydroxyethyl)ethylamine
N-Ethyl-N-(β-hydroxyethyl)amine
N-Ethyl-N-(2-hydroxyethyl)amine
N-Ethyl-2-aminoethanol
2-(N-Ethylamino)ethanol
N-(2-Hydroxyethyl)ethylamine
Amino Alcohol MEM
N-(2-Hydroxyethyl)-N-ethylamine
Identifiers:
SMILES:
CCNCCO
InChI:
InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
Key Properties
Boiling Point
169.5 °C
CAS Common Chemistry
Density
0.91 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 | 89.14 g/mol | CAS Common Chemistry |
| 89.13799999999999 g/mol | RDKit | |
| 89.084063972 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.913386 g/cm3 @ Temp: 25.00 °C | CAS Common Chemistry | |
| Boiling Point | 169.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCNCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MIJDSYMOBYNHOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Ethylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | -0.4118000000000001 | RDKit |
| Molar Refractivity | 25.629499999999993 | RDKit |
