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2-Methoxyethylamine
CAS: 109-85-3 | C3H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-85-3
Molecular Formula:
C3H9NO
Molecular Weight:
75.111 g/mol
Names and Synonyms:
2-Methoxyethylamine
Synonym
Ethanamine, 2-methoxy-
Synonym
Ethylamine, 2-methoxy-
Synonym
2-Methoxyethanamine
Synonym
1-Methoxy-2-aminoethane
Synonym
β-Methoxyethylamine
Synonym
2-Methoxyethylamine
Synonym
2-Aminoethyl methyl ether
Synonym
1-Amino-2-methoxyethane
Synonym
2-Methoxy-1-ethanamine
Synonym
N-(2-Methoxyethyl)amine
Synonym
2-Methoxy-1-aminoethane
Synonym
Identifiers:
SMILES:
COCCN
InChI:
InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3
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 | 75.11 g/mol | Legacy Database |
| cas-boiling-point | 95 °C @ Press: 758 Torr None | Legacy Database |
| cas-canonical-smile | O(C)CCN None | Legacy Database |
| cas-inchi | InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ASUDFOJKTJLAIK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 118-120 °C @ Solvent: Ligroine, Dichloromethane None | Legacy Database |
| cas-name | 2-Methoxyethylamine None | Legacy Database |
| LogP | -0.4084999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 75.111 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 75.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.930400000000002 | RDKit |