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N-Methylmorpholine
CAS: 109-02-4 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-02-4
Molecular Formula:
C5H11NO
Molecular Weight:
101.149 g/mol
Names and Synonyms:
N-Methylmorpholine
Morpholine, 4-methyl-
4-Methylmorpholine
N-Methylmorpholine
1-Methylmorpholine
NMM
NSC 9382
KL 21
Jeffcat NMM
Identifiers:
SMILES:
CN1CCOCC1
InChI:
InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.149 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.47 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.05160000000000009 | RDKit |
| molecular_mass | 101.15 g/mol | Legacy Database |
| density | 0.91 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Methylmorpholine None | Legacy Database |
| cas-boiling-point | 116 °C None | Legacy Database |
| cas-canonical-smile | O1CCN(C)CC1 None | Legacy Database |
| cas-density | 0.91406 g/cm3 @ Temp: 25.00 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SJRJJKPEHAURKC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 146-147 °C None | Legacy Database |
| cas-name | 4-Methylmorpholine None | Legacy Database |
| wikipedia-name | N-Methylmorpholine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.315999999999985 | RDKit |
