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Cis-2,6-Dimethylmorpholine
CAS: 6485-55-8 | C6H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6485-55-8
Molecular Formula:
C6H13NO
Molecular Weight:
115.17599999999999 g/mol
Names and Synonyms:
Cis-2,6-Dimethylmorpholine
Morpholine, 2,6-dimethyl-, (2R,6S)-rel-
Morpholine, 2,6-dimethyl-, cis-
rel-(2R,6S)-2,6-Dimethylmorpholine
cis-2,6-Dimethylmorpholine
(2R,6S)-2,6-Dimethylmorpholine
cis-(2R,6S)-2,6-Dimethylmorpholine
2,6-cis-Dimethylmorpholine
(2S*,6R*)-2,6-Dimethylmorpholine
rel-(2S,6R)-2,6-Dimethylmorpholine
cis-2,6-Dimethylmorpholin
2,6-cis-Dimethylmorpholine
Identifiers:
SMILES:
C[C@@H]1CNC[C@H](C)O1
InChI:
InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
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 | 115.17599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 115.099714036 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.38320000000000004 | RDKit |
| molecular_mass | 115.18 g/mol | Legacy Database |
| cas-boiling-point | 142 °C None | Legacy Database |
| cas-canonical-smile | O1C(C)CNCC1C None | Legacy Database |
| cas-inchi | InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+ None | Legacy Database |
| cas-inchi-key | InChIKey=HNVIQLPOGUDBSU-OLQVQODUNA-N None | Legacy Database |
| cas-name | cis-2,6-Dimethylmorpholine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.87869999999999 | RDKit |
