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(R)-3-Methylmorpholine
CAS: 74572-04-6 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74572-04-6
Molecular Formula:
C5H11NO
Molecular Weight:
101.149 g/mol
Names and Synonyms:
(R)-3-Methylmorpholine
(R)-3-Methylmorpholine
(3R)-3-Methylmorpholine
Morpholine, 3-methyl-, (R)-
Morpholine, 3-methyl-, (3R)-
Identifiers:
SMILES:
C[C@@H]1COCCN1
InChI:
InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
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 | 101.15 g/mol | Legacy Database |
| cas-canonical-smile | O1CCNC(C)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=SFWWGMKXCYLZEG-RXMQYKEDSA-N None | Legacy Database |
| cas-name | (R)-3-Methylmorpholine None | Legacy Database |
| LogP | -0.005300000000000027 | RDKit |
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 | 1 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 | 21.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.283699999999985 | RDKit |
