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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 Mass:
104.15 g/mol
Names and Synonyms:
2-Aminoethyl Ether
Ethanamine, 2,2′-oxybis-
Ethylamine, 2,2′-oxybis-
2,2′-Oxybis[ethanamine]
Bis(2-aminoethyl) ether
1,5-Diamino-3-oxapentane
2-Aminoethyl ether
3-Oxa-1,5-diaminopentane
2,2′-Oxybis(ethylamine)
2,2′-Oxydi[ethanamine]
Jeffamine EDR 104
3-Oxa-1,5-pentanediamine
2-(2-Aminoethoxy)ethylamine
1,5-Diamine-3-oxapentane
2-(2-Aminoethoxy)ethanamine
EDR 104
2-(2-Aminoethoxy)ethan-1-amine
Identifiers:
SMILES:
NCCOCCN
InChI:
InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2
Key Properties
Boiling Point
183-184 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.15 g/mol | CAS Common Chemistry |
| 104.153 g/mol | RDKit | |
| 104.094963004 g/mol | RDKit | |
| Boiling Point | 183-184 °C | CAS Common Chemistry |
| Canonical SMILES | O(CCN)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GXVUZYLYWKWJIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Aminoethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.269999999999996 Ų | RDKit |
| LogP | -1.0795999999999994 | RDKit |
| Molar Refractivity | 28.927799999999998 | RDKit |
