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N-Methylmorpholine N-Oxide
CAS: 7529-22-8 | C5H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7529-22-8
Molecular Formula:
C5H11NO2
Molecular Mass:
117.15 g/mol
Names and Synonyms:
N-Methylmorpholine N-Oxide
Morpholine, 4-methyl-, 4-oxide
N-Methylmorpholine oxide
N-Methylmorpholine N-oxide
4-Methylmorpholine N-oxide
4-Methylmorpholine oxide
4-Methylmorpholine 4-oxide
NMO
NMMO
N-methylmorpholine N-oxide
NSC 73198
NSC 82153
Identifiers:
SMILES:
C[N+]1([O-])CCOCC1
InChI:
InChI=1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3
Key Properties
Melting Point
74-76 °C
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 | 117.15 g/mol | CAS Common Chemistry |
| 117.14800000000001 g/mol | RDKit | |
| 117.078978592 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methylmorpholine_N-oxide | CAS Common Chemistry |
| Canonical SMILES | O=N1(C)CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LFTLOKWAGJYHHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 74-76 °C | CAS Common Chemistry |
| Name | N-methylmorpholine N-oxide | CAS Common Chemistry |
| N-Methylmorpholine N-oxide | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.29 Ų | RDKit |
| LogP | -0.039000000000000146 | RDKit |
| Molar Refractivity | 30.104399999999984 | RDKit |
Related Molecules
Other compounds with formula C5H11NO2
