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Molecule
4-Morpholineethanol
CAS: 622-40-2 · C6H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 622-40-2
- Molecular Formula
- C6H13NO2
- Molecular Mass
- 131.18 g/mol
Identifiers
CAS Registry Number
622-40-2
SMILES
OCCN1CCOCC1
InChI Key
KKFDCBRMNNSAAW-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
Names and Synonyms
- 4-Morpholineethanol Synonym
- 4-Morpholineethanol Synonym
- N-(2-Hydroxyethyl)morpholine Synonym
- N-(β-Hydroxyethyl)morpholine Synonym
- 2-Morpholinoethanol Synonym
- β-Morpholinoethanol Synonym
- 4-(2-Hydroxyethyl)morpholine Synonym
- 2-(4-Morpholinyl)ethanol Synonym
- 2-(4-Morpholino)ethyl alcohol Synonym
- 2-(4-Morpholinyl)-1-ethanol Synonym
- NSC 1946 Synonym
- 1-(2-Hydroxyethyl)morpholine Synonym
- 2-Morpholinoethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.18 g/mol | CAS Common Chemistry |
| 131.17499999999998 g/mol | RDKit | |
| 131.175 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0733 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 227 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KKFDCBRMNNSAAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -1.6 °C | CAS Common Chemistry |
| Name | 4-Morpholineethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.7 Ų | RDKit |
| 32.47 Ų | chempirical lib | |
| LogP | -0.6891000000000005 | RDKit |
| -0.6891 | RDKit | |
| Molar Refractivity | 34.34479999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 131.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 131.18 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO2.
