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Molecule
Oxadixyl
CAS: 77732-09-3 · C14H18N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 77732-09-3
- Molecular Formula
- C14H18N2O4
- Molecular Mass
- 278.31 g/mol
Identifiers
CAS Registry Number
77732-09-3
SMILES
COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
InChI Key
UWVQIROCRJWDKL-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3
Names and Synonyms
- Oxadixyl Synonym
- Acetamide, N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)- Synonym
- SAN 371 Synonym
- N-(2,6-Dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)acetamide Synonym
- SAN 371F Synonym
- Sandofan Synonym
- Oxadixyl Synonym
- N-(2-Methoxyacetyl)-N-(2,6-xylyl)-3-amino-1,3-oxazolidin-2-one Synonym
- M 10797 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.31 g/mol | CAS Common Chemistry |
| 278.308 g/mol | RDKit | |
| Canonical SMILES | O=C1OCCN1N(C(=O)COC)C=2C(=CC=CC2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UWVQIROCRJWDKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104 °C | CAS Common Chemistry |
| Name | Oxadixyl | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 59.080000000000005 Ų | RDKit |
| 59.08 Ų | RDKit | |
| 58.62 Ų | chempirical lib | |
| LogP | 1.6500400000000004 | RDKit |
| 1.65 | RDKit | |
| 1.67 | chempirical lib | |
| Molar Refractivity | 73.33200000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 278.126657056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 278.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H18N2O4.
