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Molecule
2-(Ethylamino)Ethanol
CAS: 110-73-6 · C4H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-73-6
- Molecular Formula
- C4H11NO
- Molecular Mass
- 89.14 g/mol
Identifiers
CAS Registry Number
110-73-6
SMILES
CCNCCO
InChI Key
MIJDSYMOBYNHOT-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
Names and Synonyms
- 2-(Ethylamino)Ethanol Synonym
- Ethanol, 2-(ethylamino)- Synonym
- 2-(Ethylamino)ethanol Synonym
- N-Ethylmonoethanolamine Synonym
- 2-(Monoethylamino)ethanol Synonym
- N-Ethylethanolamine Synonym
- (2-Hydroxyethyl)ethylamine Synonym
- N-Ethyl-N-(β-hydroxyethyl)amine Synonym
- N-Ethyl-N-(2-hydroxyethyl)amine Synonym
- N-Ethyl-2-aminoethanol Synonym
- 2-(N-Ethylamino)ethanol Synonym
- N-(2-Hydroxyethyl)ethylamine Synonym
- Amino Alcohol MEM Synonym
- N-(2-Hydroxyethyl)-N-ethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | OCCNCC | CAS Common Chemistry |
| Molecular Mass | 89.14 g/mol | CAS Common Chemistry |
| 89.13799999999999 g/mol | RDKit | |
| 89.138 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.913386 g/cm3 @ 25.00 °C | CAS Common Chemistry | |
| Boiling Point | 169.5 °C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MIJDSYMOBYNHOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Ethylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | -0.4118000000000001 | RDKit |
| -0.4118 | RDKit | |
| Molar Refractivity | 25.629499999999993 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
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 89.14 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11NO.
