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Molecule
N-Acetylmorpholine
CAS: 1696-20-4 · C6H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1696-20-4
- Molecular Formula
- C6H11NO2
- Molecular Mass
- 129.16 g/mol
Identifiers
CAS Registry Number
1696-20-4
SMILES
CC(=O)N1CCOCC1
InChI Key
KYWXRBNOYGGPIZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3
Names and Synonyms
- N-Acetylmorpholine Common Name
- Ethanone, 1-(4-morpholinyl)- Synonym
- Morpholine, 4-acetyl- Synonym
- 1-(4-Morpholinyl)ethanone Synonym
- N-Acetylmorpholine Synonym
- 4-Acetylmorpholine Synonym
- Acetomorpholide Synonym
- NSC 2764 Synonym
- 1-(Morpholin-4-yl)ethanone Synonym
- 1-Morpholinoethanone Synonym
- 1-Morpholinoethan-1-one Synonym
- 1-(Morpholin-4-yl)ethan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.16 g/mol | CAS Common Chemistry |
| 129.159 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.1162 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(N1CCOCC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KYWXRBNOYGGPIZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 14.5 °C | CAS Common Chemistry |
| Name | N-Acetylmorpholine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| 29.54 Ų | RDKit | |
| 29.31 Ų | chempirical lib | |
| LogP | -0.13490000000000002 | RDKit |
| -0.1349 | RDKit | |
| Molar Refractivity | 33.07299999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 129.078978592 g/mol | RDKit |
| Boiling Point | 89 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 129.16 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO2.
