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N-Acetylmorpholine
CAS: 1696-20-4 | C6H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1696-20-4
Molecular Formula:
C6H11NO2
Molecular Mass:
129.16 g/mol
Names and Synonyms:
N-Acetylmorpholine
Ethanone, 1-(4-morpholinyl)-
Morpholine, 4-acetyl-
1-(4-Morpholinyl)ethanone
N-Acetylmorpholine
4-Acetylmorpholine
Acetomorpholide
NSC 2764
1-(Morpholin-4-yl)ethanone
1-Morpholinoethanone
1-Morpholinoethan-1-one
1-(Morpholin-4-yl)ethan-1-one
Identifiers:
SMILES:
CC(=O)N1CCOCC1
InChI:
InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3
Key Properties
Boiling Point
89 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
14.5 °C
CAS Common Chemistry
Density
1.12 g/cm³
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 | 129.16 g/mol | CAS Common Chemistry |
| 129.159 g/mol | RDKit | |
| 129.078978592 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.1162 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 89 °C @ Press: 1 Torr | 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 |
| LogP | -0.13490000000000002 | RDKit |
| Molar Refractivity | 33.07299999999999 | RDKit |
