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Molecule
2-Aminoethyl Ether
CAS: 2752-17-2 · C4H12N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2752-17-2
- Molecular Formula
- C4H12N2O
- Molecular Mass
- 104.15 g/mol
Identifiers
CAS Registry Number
2752-17-2
SMILES
NCCOCCN
InChI Key
GXVUZYLYWKWJIM-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2
Names and Synonyms
- 2-Aminoethyl Ether Systematic Name
- Ethanamine, 2,2′-oxybis- Synonym
- Ethylamine, 2,2′-oxybis- Synonym
- 2,2′-Oxybis[ethanamine] Synonym
- Bis(2-aminoethyl) ether Synonym
- 1,5-Diamino-3-oxapentane Synonym
- 2-Aminoethyl ether Synonym
- 3-Oxa-1,5-diaminopentane Synonym
- 2,2′-Oxybis(ethylamine) Synonym
- 2,2′-Oxydi[ethanamine] Synonym
- Jeffamine EDR 104 Synonym
- 3-Oxa-1,5-pentanediamine Synonym
- 2-(2-Aminoethoxy)ethylamine Synonym
- 1,5-Diamine-3-oxapentane Synonym
- 2-(2-Aminoethoxy)ethanamine Synonym
- EDR 104 Synonym
- 2-(2-Aminoethoxy)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.15 g/mol | CAS Common Chemistry |
| 104.153 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 |
| 61.27 Ų | RDKit | |
| LogP | -1.0795999999999994 | RDKit |
| -1.0796 | RDKit | |
| Molar Refractivity | 28.927799999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 104.094963004 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
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| 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 = 104.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H12N2O.
