Back to Search
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 Weight:
89.13800000000002 g/mol
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
Identifiers:
SMILES:
CCOCCN
InChI:
InChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.13800000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.01839999999999986 | RDKit |
| molecular_mass | 89.14 g/mol | Legacy Database |
| cas-boiling-point | 108 °C None | Legacy Database |
| cas-canonical-smile | O(CC)CCN None | Legacy Database |
| cas-inchi | InChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BPGIOCZAQDIBPI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethoxyethylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.547399999999996 | RDKit |