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Molecule
Cis-2,6-Dimethylmorpholine
CAS: 6485-55-8 · C6H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6485-55-8
- Molecular Formula
- C6H13NO
- Molecular Mass
- 115.18 g/mol
Identifiers
CAS Registry Number
6485-55-8
SMILES
C[C@@H]1CNC[C@H](C)O1
InChI Key
HNVIQLPOGUDBSU-OLQVQODUNA-N
InChI
InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
Names and Synonyms
- Cis-2,6-Dimethylmorpholine Synonym
- Morpholine, 2,6-dimethyl-, (2R,6S)-rel- Synonym
- Morpholine, 2,6-dimethyl-, cis- Synonym
- rel-(2R,6S)-2,6-Dimethylmorpholine Synonym
- cis-2,6-Dimethylmorpholine Synonym
- (2R,6S)-2,6-Dimethylmorpholine Synonym
- cis-(2R,6S)-2,6-Dimethylmorpholine Synonym
- 2,6-cis-Dimethylmorpholine Synonym
- (2S*,6R*)-2,6-Dimethylmorpholine Synonym
- rel-(2S,6R)-2,6-Dimethylmorpholine Synonym
- cis-2,6-Dimethylmorpholin Synonym
- 2,6-cis-Dimethylmorpholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.17599999999999 g/mol | RDKit | |
| 115.176 g/mol | RDKit | |
| Boiling Point | 142 °C | CAS Common Chemistry |
| Canonical SMILES | O1C(C)CNCC1C | CAS Common Chemistry |
| InChI | InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+ | CAS Common Chemistry |
| InChI Key | InChIKey=HNVIQLPOGUDBSU-OLQVQODUNA-N | CAS Common Chemistry |
| Name | cis-2,6-Dimethylmorpholine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| 21.26 Ų | RDKit | |
| LogP | 0.38320000000000004 | RDKit |
| 0.3832 | RDKit | |
| Molar Refractivity | 32.87869999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 115.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 115.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO.
