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Molecule
Ethoxyethylamine
CAS: 110-76-9 · C4H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-76-9
- Molecular Formula
- C4H11NO
- Molecular Mass
- 89.14 g/mol
Identifiers
CAS Registry Number
110-76-9
SMILES
CCOCCN
InChI Key
BPGIOCZAQDIBPI-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3
Names and Synonyms
- Ethoxyethylamine Synonym
- Ethanamine, 2-ethoxy- Synonym
- Ethylamine, 2-ethoxy- Synonym
- 2-Ethoxyethanamine Synonym
- 2-Ethoxyethylamine Synonym
- Ethoxyethylamine Synonym
- β-Ethoxyethylamine Synonym
- Ethyl aminoethyl ether Synonym
- 2-Aminoethyl ethyl ether Synonym
- Ethyl 2-aminoethyl ether Synonym
- Ethanolamine ethyl ether Synonym
- 2-Ethoxyethan-1-amine Synonym
- 2-Ethoxy-1-ethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.14 g/mol | CAS Common Chemistry |
| 89.13800000000002 g/mol | RDKit | |
| 89.138 g/mol | RDKit | |
| Boiling Point | 108 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BPGIOCZAQDIBPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethoxyethylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | -0.01839999999999986 | RDKit |
| -0.0184 | RDKit | |
| Molar Refractivity | 25.547399999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 89.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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
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MW = 89.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11NO.
