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2-Aminoethyl Ether
CAS: 2752-17-2 | C4H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2752-17-2
Molecular Formula:
C4H12N2O
Molecular Weight:
104.153 g/mol
Names and Synonyms:
2-Aminoethyl Ether
2-(2-Aminoethoxy)ethan-1-amine
EDR 104
2-(2-Aminoethoxy)ethanamine
1,5-Diamine-3-oxapentane
2-(2-Aminoethoxy)ethylamine
3-Oxa-1,5-pentanediamine
Jeffamine EDR 104
2,2′-Oxydi[ethanamine]
2,2′-Oxybis(ethylamine)
3-Oxa-1,5-diaminopentane
2-Aminoethyl ether
1,5-Diamino-3-oxapentane
Bis(2-aminoethyl) ether
2,2′-Oxybis[ethanamine]
Ethylamine, 2,2′-oxybis-
Ethanamine, 2,2′-oxybis-
Identifiers:
SMILES:
NCCOCCN
InChI:
InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 104.153 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 104.094963004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 61.269999999999996 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0795999999999994 | RDKit |
| molecular_mass | 104.15 g/mol | Legacy Database |
| cas-boiling-point | 183-184 °C None | Legacy Database |
| cas-canonical-smile | O(CCN)CCN None | Legacy Database |
| cas-inchi | InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GXVUZYLYWKWJIM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Aminoethyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.927799999999998 | RDKit |
