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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 Mass:
101.15 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
Key Properties
Boiling Point
116 °C
CAS Common Chemistry
Melting Point
146-147 °C
CAS Common Chemistry
Density
0.91 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 | 101.15 g/mol | CAS Common Chemistry |
| 101.149 g/mol | RDKit | |
| 101.084063972 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.91406 g/cm3 @ Temp: 25.00 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methylmorpholine | CAS Common Chemistry |
| Boiling Point | 116 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SJRJJKPEHAURKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146-147 °C | CAS Common Chemistry |
| Name | 4-Methylmorpholine | CAS Common Chemistry |
| N-Methylmorpholine | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| 12.24 Ų | chempirical lib | |
| LogP | -0.05160000000000009 | RDKit |
| -0.0516 | RDKit | |
| 1.3 | chempirical lib | |
| Molar Refractivity | 28.315999999999985 | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
Related Molecules
Other compounds with formula C5H11NO
