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Molecule
2-(2-Methoxyethoxy)Ethanamine
CAS: 31576-51-9 · C5H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 31576-51-9
- Molecular Formula
- C5H13NO2
- Molecular Mass
- 119.16 g/mol
Identifiers
CAS Registry Number
31576-51-9
SMILES
COCCOCCN
InChI Key
QWCGXANSAOXRFE-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3
Names and Synonyms
- 2-(2-Methoxyethoxy)Ethanamine Systematic Name
- Ethanamine, 2-(2-methoxyethoxy)- Synonym
- Ethylamine, 2-(2-methoxyethoxy)- Synonym
- 2-(2-Methoxyethoxy)ethanamine Synonym
- 2-(2-Methoxyethoxy)ethylamine Synonym
- Di(ethylene glycol) methyl ether amine Synonym
- 2-(2-Methoxyethoxy)-1-aminoethane Synonym
- 1-(2-Aminoethoxy)-2-methoxyethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.16 g/mol | CAS Common Chemistry |
| 119.16400000000002 g/mol | RDKit | |
| 119.164 g/mol | RDKit | |
| Canonical SMILES | O(C)CCOCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QWCGXANSAOXRFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Methoxyethoxy)ethanamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| 44.48 Ų | RDKit | |
| LogP | -0.3919000000000001 | RDKit |
| -0.3919 | RDKit | |
| Molar Refractivity | 31.74939999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 119.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 119.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO2.
