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2-(2-Methoxyethoxy)Ethanamine
CAS: 31576-51-9 | C5H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31576-51-9
Molecular Formula:
C5H13NO2
Molecular Weight:
119.16400000000002 g/mol
Names and Synonyms:
2-(2-Methoxyethoxy)Ethanamine
1-(2-Aminoethoxy)-2-methoxyethane
2-(2-Methoxyethoxy)-1-aminoethane
Di(ethylene glycol) methyl ether amine
2-(2-Methoxyethoxy)ethylamine
2-(2-Methoxyethoxy)ethanamine
Ethylamine, 2-(2-methoxyethoxy)-
Ethanamine, 2-(2-methoxyethoxy)-
Identifiers:
SMILES:
COCCOCCN
InChI:
InChI=1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3
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 |
|---|---|---|
| molecular_mass | 119.16 g/mol | Legacy Database |
| cas-canonical-smile | O(C)CCOCCN None | Legacy Database |
| cas-inchi | InChI=1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QWCGXANSAOXRFE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-(2-Methoxyethoxy)ethanamine None | Legacy Database |
| LogP | -0.3919000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 119.16400000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.094628656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.74939999999999 | RDKit |
