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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 Weight:
141.17 g/mol
Names and Synonyms:
Acryloylmorpholine
LuCure 248
1-Morpholinoprop-2-en-1-one
4-(1-Oxo-2-propenyl)morpholine
Omnimer ACMO
Photomer 9301
A-MO
NSC 162221
1-(Morpholin-4-yl)propenone
Kayarad RM 1001
MA 1
MA 1 (amide)
NK Ester A-MO
4-Acryloylmorpholine
ACMO
Acryloylmorpholine
N-Acryloylmorpholine
1-(4-Morpholinyl)-2-propen-1-one
Morpholine, 4-(1-oxo-2-propenyl)-
Morpholine, 4-acryloyl-
2-Propen-1-one, 1-(4-morpholinyl)-
Identifiers:
SMILES:
C=CC(=O)N1CCOCC1
InChI:
InChI=1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 141.17 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| cas-boiling-point | 114-116 °C @ Press: 8 Torr None | Legacy Database |
| cas-canonical-smile | O=C(C=C)N1CCOCC1 None | Legacy Database |
| cas-density | 1.114 g/cm3 @ Temp: 20 °C None | Legacy Database |
| LogP | 0.031199999999999894 | RDKit |
| cas-inchi | InChI=1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=XLPJNCYCZORXHG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <-8 °C None | Legacy Database |
| cas-name | Acryloylmorpholine None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.17 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.078978592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.596000000000004 | RDKit |
