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Molecule
4,4-Dimethyloxazolidine
CAS: 51200-87-4 · C5H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51200-87-4
- Molecular Formula
- C5H11NO
- Molecular Mass
- 101.15 g/mol
Identifiers
CAS Registry Number
51200-87-4
SMILES
CC1(C)COCN1
InChI Key
GUQMDNQYMMRJPY-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3
Names and Synonyms
- 4,4-Dimethyloxazolidine Systematic Name
- Oxazolidine, 4,4-dimethyl- Synonym
- 4,4-Dimethyloxazolidine Synonym
- 4,4-Dimethyl-1,3-oxazolidine Synonym
- Oxazolidine A Synonym
- Oxadine A Synonym
- Zoldine ZA Synonym
- Oxaban A Synonym
- Nuosept 101 Synonym
- Nuospet 101 Synonym
- 4,4-Dimethyl-1-oxa-3-azacyclopentane Synonym
- Truptan OX-I Synonym
- Nuosept 166 Synonym
- Mergal 186 Synonym
- Mergal 192 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.15 g/mol | CAS Common Chemistry |
| 101.149 g/mol | RDKit | |
| Boiling Point | 126-130 °C | CAS Common Chemistry |
| Canonical SMILES | O1CNC(C)(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GUQMDNQYMMRJPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4-Dimethyloxazolidine | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 0.3422999999999999 | RDKit |
| 0.3423 | RDKit | |
| Molar Refractivity | 28.033699999999985 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 101.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
