Back to Search
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 Mass:
75.11 g/mol
Names and Synonyms:
2-Methoxyethylamine
Ethanamine, 2-methoxy-
Ethylamine, 2-methoxy-
2-Methoxyethanamine
1-Methoxy-2-aminoethane
β-Methoxyethylamine
2-Methoxyethylamine
2-Aminoethyl methyl ether
1-Amino-2-methoxyethane
2-Methoxy-1-ethanamine
N-(2-Methoxyethyl)amine
2-Methoxy-1-aminoethane
Identifiers:
SMILES:
COCCN
InChI:
InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3
Key Properties
Boiling Point
95 °C @ Press: 758 Torr
CAS Common Chemistry
Melting Point
118-120 °C @ Solvent: Ligroine, Dichloromethane
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 | 75.11 g/mol | CAS Common Chemistry |
| 75.111 g/mol | RDKit | |
| 75.068413908 g/mol | RDKit | |
| Boiling Point | 95 °C @ Press: 758 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ASUDFOJKTJLAIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-120 °C @ Solvent: Ligroine, Dichloromethane | CAS Common Chemistry |
| Name | 2-Methoxyethylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | -0.4084999999999998 | RDKit |
| Molar Refractivity | 20.930400000000002 | RDKit |
