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Tempone
CAS: 2896-70-0 | C9H16NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2896-70-0
Molecular Formula:
C9H16NO2
Molecular Weight:
170.232 g/mol
Names and Synonyms:
Tempone
4-Oxo-TEMPO
4-Oxo-2,2,6,6-tetramethylpiperidine-N-oxyl
4-Oxo-2,2,6,6-tetramethylpiperidino-1-oxy
2,2,6,6-Tetramethyl-4-piperidon-1-oxyl
2,2,6,6-Tetramethyl-4-piperidinone-1-oxyl
4-Oxo-2,2,6,6-tetramethylpiperidinoxyl
2,2,6,6-Tetramethyl-4-oxopiperidine-1-oxyl radical
OTEMPO
4-Oxo-2,2,6,6-tetramethylpiperidinyl-1-oxy
4-Oxo-2,2,6,6-tetramethyl-1-piperidinoxyl
4-Oxo-2,2,6,6-tetramethylpiperidine-1-oxyl
4-Oxo-2,2,6,6-tetramethylpiperidino-N-oxyl
2,2,6,6-Tetramethyl-4-oxypiperidin-1-oxyl
4-Oxo-2,2,6,6-tetramethylpiperidinooxyl
TANO
1-Oxyl-2,2,6,6-tetramethyl-4-piperidone
2,2′,6,6′-Tetramethyl-4-oxopiperidine-1-oxyl
4-Oxo-2,2,6,6-tetramethylpiperidinooxy
Tempone
2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyl
2,2,6,6-Tetramethyl-4-oxopiperidin-1-oxyl radical
2,2,6,6-Tetramethyl-4-oxopiperidine-1-oxyl
2,2,6,6-Tetramethyl-4-oxo-1-piperidinooxy
2,2,6,6-Tetramethyl-4-oxopiperidin-1-oxyl
2,2,6,6-Tetramethyl-4-piperidone-N-oxyl
2,2,6,6-Tetramethyl-4-oxopiperidinooxy
Tanone radical
Tanone
2,2,6,6-Tetramethyl-4-piperidone-N-oxy
2,2,6,6-Tetramethyl-4-piperidone N-oxide
2,2,6,6-Tetramethylpiperid-4-one-1-oxyl
Triacetoneamine nitroxide
TAN (radical)
Triacetoneamine N-oxyl
2,2,6,6-Tetramethyl-4-piperidone 1-nitroxide
1-Piperidinyloxy, 2,2,6,6-tetramethyl-4-oxo-
2,2,6,6-Tetramethyl-4-piperidone nitroxide
Tetramethyl-2,2,6,6-aza-1-cyclohexanone-4-oxide-1
2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxy
Piperidinooxy, 2,2,6,6-tetramethyl-4-oxo-
702
4-Oxo-2,2,6,6-tetramethylpiperidin-1-yl oxide
Nitroxyl 1
1-Oxyl-2,2,6,6-tetramethyl-4-oxopiperidine
2,2,6,6-Tetramethyl-4-piperidinone oxide
1-Oxyl-2,2,6,6-tetramethylpiperidin-4-one
TAN
4-Oxo-2,2,6,6-tetramethylpiperidinyloxy
2,2,6,6-Tetramethyl-4-oxo-piperydin-1-oxyl
Identifiers:
SMILES:
CC1(C)CC(=O)CC(C)(C)N1[O]
InChI:
InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3
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 | 170.232 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 170.118103752 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 40.21 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.554 | RDKit |
| molecular_mass | 170.23 g/mol | Legacy Database |
| cas-canonical-smile | O=C1CC(N([O])C(C)(C)C1)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WSGDRFHJFJRSFY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 36 °C @ Solvent: Hexane None | Legacy Database |
| cas-name | Tempone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.92450000000002 | RDKit |
