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Acryloylmorpholine
CAS: 5117-12-4 | C7H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5117-12-4
- Molecular Formula
- C7H11NO2
- Molecular Mass
- 141.17 g/mol
Identifiers
CAS Registry Number
5117-12-4
SMILES
C=CC(=O)N1CCOCC1
InChI Key
XLPJNCYCZORXHG-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2
Names and Synonyms
- Acryloylmorpholine Common Name
- 2-Propen-1-one, 1-(4-morpholinyl)- Synonym
- Morpholine, 4-acryloyl- Synonym
- Morpholine, 4-(1-oxo-2-propenyl)- Synonym
- 1-(4-Morpholinyl)-2-propen-1-one Synonym
- N-Acryloylmorpholine Synonym
- Acryloylmorpholine Synonym
- ACMO Synonym
- 4-Acryloylmorpholine Synonym
- NK Ester A-MO Synonym
- MA 1 (amide) Synonym
- MA 1 Synonym
- Kayarad RM 1001 Synonym
- 1-(Morpholin-4-yl)propenone Synonym
- NSC 162221 Synonym
- A-MO Synonym
- Photomer 9301 Synonym
- Omnimer ACMO Synonym
- 4-(1-Oxo-2-propenyl)morpholine Synonym
- 1-Morpholinoprop-2-en-1-one Synonym
- LuCure 248 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.17 g/mol | CAS Common Chemistry |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.114 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(C=C)N1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XLPJNCYCZORXHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-8 °C | CAS Common Chemistry |
| Name | Acryloylmorpholine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| 29.54 Ų | RDKit | |
| 29.31 Ų | chempirical lib | |
| LogP | 0.031199999999999894 | RDKit |
| 0.0312 | RDKit | |
| Molar Refractivity | 37.596000000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 141.078978592 g/mol | RDKit |
| Boiling Point | 114-116 °C @ 8 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
Related
Related molecules
Other compounds with formula C7H11NO2.
