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Ethanolamine
CAS: 141-43-5 | C2H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141-43-5
Molecular Formula:
C2H7NO
Molecular Weight:
61.083999999999996 g/mol
Names and Synonyms:
Ethanolamine
R 8747
Kolamin
R 100
R 100 (amine)
MEA 90
MEA-LCI
Mealan
Seramine
Envision Conditioner PDD 9020
ETA
2-Aminoethyl alcohol
MEA (alcohol)
1-Amino-2-hydroxyethane
2-Hydroxyethanamine
Colamine
β-Aminoethanol
2-Ethanolamine
2-Amino-1-ethanol
Aminoethanol
Olamine
MEA
Monoethanolamine
β-Ethanolamine
β-Hydroxyethylamine
2-Hydroxyethylamine
Glycinol
Ethylolamine
Ethanolamine
β-Aminoethyl alcohol
2-Aminoethanol
Ethanol, 2-amino-
Identifiers:
SMILES:
NCCO
InChI:
InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| wikipedia-name | Ethanolamine None | Legacy Database |
| LogP | -1.0626000000000002 | RDKit |
| molecular_mass | 61.08 g/mol | Legacy Database |
| density | 1.02 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethanolamine None | Legacy Database |
| cas-boiling-point | 170.8 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OCCN None | Legacy Database |
| cas-density | 1.0180 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=HZAXFHJVJLSVMW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 10.3 °C None | Legacy Database |
| cas-name | Ethanolamine None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 61.083999999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 61.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.140200000000004 | RDKit |
