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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 Mass
- 75.11 g/mol
Identifiers
CAS Registry Number
109-85-3
SMILES
COCCN
InChI Key
ASUDFOJKTJLAIK-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.11 g/mol | CAS Common Chemistry |
| 75.111 g/mol | RDKit | |
| 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 |
| -0.4085 | RDKit | |
| Molar Refractivity | 20.930400000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 75.068413908 g/mol | RDKit |
| Boiling Point | 95 °C @ 758 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C3H9NO.
