Tempone

CAS: 2896-70-0 · C9H16NO2

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 2896-70-0
Molecular Formula: C9H16NO2
Molecular Mass: 170.23 g/mol

Identifiers

CAS Registry Number

2896-70-0

SMILES

CC1(C)CC(=O)CC(C)(C)N1[O]

InChI Key

WSGDRFHJFJRSFY-UHFFFAOYSA-N

InChI

InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3

Names and Synonyms

Tempone Common Name
1-Piperidinyloxy, 2,2,6,6-tetramethyl-4-oxo- Synonym
2,2,6,6-Tetramethyl-4-piperidone 1-nitroxide Synonym
Triacetoneamine N-oxyl Synonym
TAN (radical) Synonym
Triacetoneamine nitroxide Synonym
2,2,6,6-Tetramethylpiperid-4-one-1-oxyl Synonym
2,2,6,6-Tetramethyl-4-piperidone N-oxide Synonym
2,2,6,6-Tetramethyl-4-piperidone-N-oxy Synonym
Tanone Synonym
Tanone radical Synonym
2,2,6,6-Tetramethyl-4-oxopiperidinooxy Synonym
2,2,6,6-Tetramethyl-4-piperidone-N-oxyl Synonym
2,2,6,6-Tetramethyl-4-oxopiperidin-1-oxyl Synonym
2,2,6,6-Tetramethyl-4-oxo-1-piperidinooxy Synonym
2,2,6,6-Tetramethyl-4-oxopiperidine-1-oxyl Synonym
2,2,6,6-Tetramethyl-4-oxopiperidin-1-oxyl radical Synonym
2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyl Synonym
Tempone Synonym
4-Oxo-2,2,6,6-tetramethylpiperidinooxy Synonym
2,2′,6,6′-Tetramethyl-4-oxopiperidine-1-oxyl Synonym
1-Oxyl-2,2,6,6-tetramethyl-4-piperidone Synonym
TANO Synonym
4-Oxo-2,2,6,6-tetramethylpiperidinooxyl Synonym
2,2,6,6-Tetramethyl-4-oxypiperidin-1-oxyl Synonym
4-Oxo-2,2,6,6-tetramethylpiperidino-N-oxyl Synonym
4-Oxo-2,2,6,6-tetramethylpiperidine-1-oxyl Synonym
4-Oxo-2,2,6,6-tetramethyl-1-piperidinoxyl Synonym
4-Oxo-2,2,6,6-tetramethylpiperidinyl-1-oxy Synonym
OTEMPO Synonym
2,2,6,6-Tetramethyl-4-oxopiperidine-1-oxyl radical Synonym
4-Oxo-2,2,6,6-tetramethylpiperidinoxyl Synonym
2,2,6,6-Tetramethyl-4-piperidinone-1-oxyl Synonym
2,2,6,6-Tetramethyl-4-piperidon-1-oxyl Synonym
4-Oxo-2,2,6,6-tetramethylpiperidino-1-oxy Synonym
4-Oxo-2,2,6,6-tetramethylpiperidine-N-oxyl Synonym
4-Oxo-TEMPO Synonym
2,2,6,6-Tetramethyl-4-oxo-piperydin-1-oxyl Synonym
4-Oxo-2,2,6,6-tetramethylpiperidinyloxy Synonym
TAN Synonym
1-Oxyl-2,2,6,6-tetramethylpiperidin-4-one Synonym
2,2,6,6-Tetramethyl-4-piperidinone oxide Synonym
1-Oxyl-2,2,6,6-tetramethyl-4-oxopiperidine Synonym
Nitroxyl 1 Synonym
4-Oxo-2,2,6,6-tetramethylpiperidin-1-yl oxide Synonym
702 Synonym
Piperidinooxy, 2,2,6,6-tetramethyl-4-oxo- Synonym
2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxy Synonym
Tetramethyl-2,2,6,6-aza-1-cyclohexanone-4-oxide-1 Synonym
2,2,6,6-Tetramethyl-4-piperidone nitroxide Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	170.23 g/mol	CAS Common Chemistry
	170.232 g/mol	RDKit
	171.24 g/mol	chempirical lib
Canonical SMILES	O=C1CC(N([O])C(C)(C)C1)(C)C	CAS Common Chemistry
InChI	InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3	CAS Common Chemistry
InChI Key	InChIKey=WSGDRFHJFJRSFY-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	36 °C @ Solvent: Hexane	CAS Common Chemistry
Name	Tempone	CAS Common Chemistry
Heavy Atom Count	12	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	40.21 Å²	RDKit
	40.31 Å²	chempirical lib
LogP	1.554	RDKit
Molar Refractivity	44.92450000000002 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.8889	RDKit
	0.89	chempirical lib
Exact Mass	170.118103752 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

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.

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MW = 170.23 g/mol. Edit any field — others recompute live.

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