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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 Weight:
101.149 g/mol
Names and Synonyms:
4,4-Dimethyloxazolidine
Mergal 192
Mergal 186
Nuosept 166
Truptan OX-I
4,4-Dimethyl-1-oxa-3-azacyclopentane
Nuospet 101
Nuosept 101
Oxaban A
Zoldine ZA
Oxadine A
Oxazolidine A
4,4-Dimethyl-1,3-oxazolidine
4,4-Dimethyloxazolidine
Oxazolidine, 4,4-dimethyl-
Identifiers:
SMILES:
CC1(C)COCN1
InChI:
InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.149 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3422999999999999 | RDKit |
| molecular_mass | 101.15 g/mol | Legacy Database |
| cas-boiling-point | 126-130 °C None | Legacy Database |
| cas-canonical-smile | O1CNC(C)(C)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GUQMDNQYMMRJPY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4,4-Dimethyloxazolidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.033699999999985 | RDKit |
