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Molecule
4-Amino-2,2,6,6-Tetramethylpiperidine-1-Oxyl
CAS: 14691-88-4 · C9H19N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14691-88-4
- Molecular Formula
- C9H19N2O
- Molecular Mass
- 171.26 g/mol
Identifiers
CAS Registry Number
14691-88-4
SMILES
CC1(C)CC(N)CC(C)(C)N1[O]
InChI Key
XUXUHDYTLNCYQQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3
Names and Synonyms
- 4-Amino-2,2,6,6-Tetramethylpiperidine-1-Oxyl Systematic Name
- 1-Piperidinyloxy, 4-amino-2,2,6,6-tetramethyl- Synonym
- Piperidinooxy, 4-amino-2,2,6,6-tetramethyl- Synonym
- 4-Amino-2,2,6,6-tetramethyl-1-piperidinyloxy Synonym
- 2,2,6,6-Tetramethyl-4-aminopiperidine-1-oxyl Synonym
- 4-Amino-2,2,6,6-tetramethyl-1-piperidinyloxyl Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidinooxyl Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidine-1-oxy Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidino-1-oxyl Synonym
- 2,2,6,6-Tetramethyl-1-oxy-4-aminopiperidine Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidin-1-oxyl Synonym
- 2,2,6,6-Tetramethyl-4-aminopiperidine N-oxide Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidinyl-N-oxy Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidino-1-oxy Synonym
- Tempamine Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl Synonym
- Tempo-amine Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidinyloxy Synonym
- 4-Amino-1-oxyl-2,2,6,6-tetramethylpiperidine Synonym
- (2,2,6,6-Tetramethyl-1-oxy-4-piperidinyl)amine Synonym
- 6-Tempamine Synonym
- 4-Aminotempo Synonym
- 2,2,6,6-Tetramethyl-4-amino-1-piperidinyloxy Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidine-N-oxyl Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidine N-oxide Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidine-1-nitroxide Synonym
- TAMINE Synonym
- 4-Amino-2,2,6,6-tetramethylpiperidin-N-oxyl Synonym
- 4-NH2-TEMPO Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.26 g/mol | CAS Common Chemistry |
| 171.264 g/mol | RDKit | |
| 172.272 g/mol | chempirical lib | |
| Canonical SMILES | [O]N1C(C)(C)CC(N)CC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XUXUHDYTLNCYQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35-36 °C | CAS Common Chemistry |
| Name | 4-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl | 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 | 49.16 Ų | RDKit |
| 49.26 Ų | chempirical lib | |
| LogP | 1.3122000000000003 | RDKit |
| 1.3122 | RDKit | |
| Molar Refractivity | 47.89290000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 171.149738228 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 171.26 g/mol. Edit any field — others recompute live.
