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4,4-Dimethyloxazolidine
CAS: 51200-87-4 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51200-87-4
Molecular Formula:
C5H11NO
Molecular Mass:
101.15 g/mol
Names and Synonyms:
4,4-Dimethyloxazolidine
Oxazolidine, 4,4-dimethyl-
4,4-Dimethyloxazolidine
4,4-Dimethyl-1,3-oxazolidine
Oxazolidine A
Oxadine A
Zoldine ZA
Oxaban A
Nuosept 101
Nuospet 101
4,4-Dimethyl-1-oxa-3-azacyclopentane
Truptan OX-I
Nuosept 166
Mergal 186
Mergal 192
Identifiers:
SMILES:
CC1(C)COCN1
InChI:
InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3
Key Properties
Boiling Point
126-130 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.15 g/mol | CAS Common Chemistry |
| 101.149 g/mol | RDKit | |
| 101.084063972 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 |
| LogP | 0.3422999999999999 | RDKit |
| Molar Refractivity | 28.033699999999985 | RDKit |
