1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine

HCID 98642CAS 3637-11-4

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Basic information

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-piperidinoneMFCD00006187MLS0031064341-hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine

Show more names

1-hydroxy-2,2,6,6-tetramethyl-4-piperidone1-Hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine hydrochloride1-Hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine hydrochloride (technical grade)

4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl-4-Oxo-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical4-Oxo-2,2,6,6-tetramethylpiperidinoxyNSC156571starbld00018531-Hydroxy-2,2,6,6-tetramethyl-piperidin-4-oneSCHEMBL50791SCHEMBL85990

Database identifiers

CAS: 3637-11-4
PubChem CID: 98642
DTXSID: DTXSID30189892
ChEMBL: CHEMBL326931
Nikkaji: J793.733D

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 189

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.