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Molecule
4-Hydroxy-Tempo
CAS: 2226-96-2 · C9H18NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2226-96-2
- Molecular Formula
- C9H18NO2
- Molecular Mass
- 172.25 g/mol
Identifiers
CAS Registry Number
2226-96-2
SMILES
CC1(C)CC(O)CC(C)(C)N1[O]
InChI Key
UZFMOKQJFYMBGY-UHFFFAOYSA-N
InChI
InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3
Names and Synonyms
- 4-Hydroxy-Tempo Systematic Name
- 1-Piperidinyloxy, 4-hydroxy-2,2,6,6-tetramethyl- Synonym
- Piperidinooxy, 4-hydroxy-2,2,6,6-tetramethyl- Synonym
- 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinooxy Synonym
- Tetramethyl-2,2,6,6-aza-1-cyclohexanol-4-oxide-1 Synonym
- 2,2,6,6-Tetramethyl-4-piperidinol 1-oxide Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidinooxy radical Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidinooxy Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidine-1-oxyl Synonym
- Tanol Synonym
- 2,2,6,6-Tetramethyl-4-piperidinol N-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidine 1-oxide radical Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidine-1-hydroxyl Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidin-1-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-piperidinol 1-oxyl Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinooxy radical Synonym
- 2,2,6,6-Tetramethyl-4-piperidinol nitroxide Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidyl 1-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-piperidinol-1-oxy Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidine N-oxide Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-oxypiperidine-1-oxyl Synonym
- 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinoxyl Synonym
- Tempol Synonym
- 2,2,6,6-Tetramethylpiperidine-N-oxyl-4-ol Synonym
- 4-Oxypiperidol Synonym
- 2,2,6,6-Tetramethyl-4-piperidinol-1-oxyl radical Synonym
- 2,2,6,6-Tetramethyl-1-oxy-4-hydroxypiperidine Synonym
- TMPN Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidyl-1-oxyl Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinoxy Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinoxyl Synonym
- 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinol Synonym
- 2,2,6,6-Tetramethylpiperidinol-4-oxyl-1 Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidine-N-oxy Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinyl-N-oxy Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidine-N-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidinyl-1-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-hydroxylpiperidine-1-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidine-1-oxyl radical Synonym
- NR I Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidino-1-oxyl Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinyl-1-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidinyloxyl radical Synonym
- Nitroxyl 2 Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinyl-N-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidinyloxy radical Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidinyl-1-oxy Synonym
- 2,2,6,6-Tetramethyl-4-hydroxy-1-piperidinyloxy radical Synonym
- 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinoxy Synonym
- HyTEMPO Synonym
- Tempo OH Synonym
- HTEMPO Synonym
- 4-hydroxy-TEMPO Synonym
- 1-Oxyl-2,2,6,6-tetramethyl-4-hydroxypiperidine Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-oxide radical Synonym
- 4H-Tempo Synonym
- 2,2,6,6-Tetramethylpiperidine-4-hydroxy-1-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidine oxide Synonym
- 4-Hydroxy-1-oxyl-2,2,6,6-tetramethylpiperidine Synonym
- HOTEMPO Synonym
- 2,2,6,6-Tetramethyl-4-hydroxypiperidine N-oxide Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidine oxide Synonym
- LA 7RD Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinyloxyl Synonym
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinyloxy Synonym
- Petroflo 20Y104 Synonym
- ADK Stab LA 7RD Synonym
- Prostab 5198 Synonym
- Polystop 7300P Synonym
- Tempole Synonym
- ZJ 701 Synonym
- ADK Stab NA 7RD Synonym
- SPJ 701 Synonym
- ZJ 01 Synonym
- 4-HO-TEMPO Synonym
- 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy radical Synonym
- 4-OH-Tempo Synonym
- Polystop 7010 Synonym
- 701 Synonym
- Polystast 7200P Synonym
- H 0865 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.25 g/mol | CAS Common Chemistry |
| 172.248 g/mol | RDKit | |
| 173.256 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Hydroxy-TEMPO | CAS Common Chemistry |
| Canonical SMILES | [O]N1C(C)(C)CC(O)CC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UZFMOKQJFYMBGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.5 °C | CAS Common Chemistry |
| Name | Tempol | CAS Common Chemistry |
| 4-Hydroxy-TEMPO | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.37 Ų | RDKit |
| 43.47 Ų | chempirical lib | |
| LogP | 1.3457999999999999 | RDKit |
| 1.3458 | RDKit | |
| Molar Refractivity | 45.924300000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 172.133753816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 172.25 g/mol. Edit any field — others recompute live.
