1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine
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Basic information
- CAS
3637-11-4- Standard SMILES
CC1(C)CC(=O)CC(C)(C)N1O- InChIKey
KMEUSKGEUADGET-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- 1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine
- IUPAC
- 1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one
- English name
- 1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
3637-11-4Tempone-H1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidineDTXSID30189892RefChem:75956DTXCID901123831-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine hydrochloride1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinone4-Oxo-2,2,6,6-tetramethylpiperidinoxy2,2,6,6-Tetramethyl-4-piperidone 1-oxylMFCD00006187
Show more names
1-hydroxy-2,2,6,6-tetramethyl-4-piperidone1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-one1-Hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine hydrochloride (technical grade)
MLS0031064341-hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl-1-oxyl-2,2,6,6-tetramethyl-4-piperidoneO0521N-hydroxy-2,2,6,6-tetramethylpiperidin-4-one4-Oxo-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical1-HYDROXY-2,2,6,6-TETRAMETHYL-4-OXO-PIPERIDINE HYDROCHLORIDE
Database identifiers
- CAS
3637-11-4- PubChem CID
- 98642
- DTXSID
DTXSID30189892- ChEMBL
CHEMBL326931- Nikkaji
- J793.733D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
LogP0.12
Physicochemical properties
- Melting point
- 92 °C · 92 °C(Solv: hexane (110-54-3))
- Boiling point
- 257.5 · 257.5±29.0 °C(Predicted)
- Density
- 1.02 · 1.020±0.06 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.60(Predicted)
- form
- White to off-white crystalline powder.
- color
- Light yellow to brown
Chemistry & industry
Applications
Uses1-Hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine Hydrochloride is a very effective, cell permeable and non-toxic spin trap for the detection of superoxide radical and peroxynitrite.
Related reactions
36 records
Compound notes
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