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Molecule
2,6-Dimethylmorpholine
CAS: 141-91-3 · C6H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 141-91-3
- Molecular Formula
- C6H13NO
- Molecular Mass
- 115.18 g/mol
Identifiers
CAS Registry Number
141-91-3
SMILES
CC1CNCC(C)O1
InChI Key
HNVIQLPOGUDBSU-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3
Names and Synonyms
- 2,6-Dimethylmorpholine Synonym
- Morpholine, 2,6-dimethyl- Synonym
- 2,6-Dimethylmorpholine Synonym
- NSC 60704 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 | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9346 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O1C(C)CNCC1C | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HNVIQLPOGUDBSU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -88 °C | CAS Common Chemistry |
| Name | 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 |
| Boiling Point | 146.6 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 115.18 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO.
