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Molecule
4-Acetamido-Tempo
CAS: 14691-89-5 · C11H21N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14691-89-5
- Molecular Formula
- C11H21N2O2
- Molecular Mass
- 213.30 g/mol
Identifiers
CAS Registry Number
14691-89-5
SMILES
CC(O)=NC1CC(C)(C)N([O])C(C)(C)C1
InChI Key
UXBLSWOMIHTQPH-UHFFFAOYSA-N
InChI
InChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14)
Names and Synonyms
- 4-Acetamido-Tempo Systematic Name
- 1-Piperidinyloxy, 4-(acetylamino)-2,2,6,6-tetramethyl- Synonym
- Piperidinooxy, 4-acetamido-2,2,6,6-tetramethyl- Synonym
- 4-(Acetylamino)-2,2,6,6-tetramethyl-1-piperidinyloxy Synonym
- 4-Acetamido-2,2,6,6-tetramethylpiperidinooxy Synonym
- 2,2,6,6-Tetramethyl-4-acetamidopiperidin-1-oxyl Synonym
- 4-Acetamido-2,2,6,6-tetramethyl-1-piperidinyloxy Synonym
- 2,2,6,6-Tetramethyl-4-acetylaminopiperidin-1-oxyl Synonym
- 4-(Acetylamino)-2,2,6,6-tetramethylpiperidin-1-yloxyl Synonym
- 4-Acetamido-2,2,6,6-tetramethylpiperidin-1-oxyl Synonym
- 4-Acetylamino-2,2,6,6-tetramethylpiperidine N-oxyl Synonym
- Tempace Synonym
- 4-Acetamido-2,2,6,6-tetramethylpiperidine-1-oxyl Synonym
- 4-Acetamido-TEMPO Synonym
- 4-Acetamino-2,2,6,6-tetramethylpiperidine-1-oxyl Synonym
- 4-Acetamide-2,2,6,6-tetramethyl-1-piperidin-yloxy Synonym
- 4-Acetoamido-2,2,6,6,-tetramethylpiperidine 1-oxyl Synonym
- 4-(Acetylamino)-2,2,6,6-tetramethylpiperidin-1-oxyl Synonym
- 1-Oxyl-2,2,6,6-tetramethyl-4-acetamidopiperidine Synonym
- N-(1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl)acetamide Synonym
- 4-Acetamino-2,2,6,6-tetramethylpiperidinyloxy Synonym
- 4-Acetamino-2,2,6,6-tetramethylpiperidine-N-oxyl Synonym
- 4-Acetylamino-TEMPO Synonym
- 4-Acetamido-1-oxyl-2,2,6,6-tetramethylpiperidine Synonym
- 4-Acetamido-2,2,6,6-tetramethylpiperidin-1-oxy Synonym
- 4-N-Acetylamino-TEMPO Synonym
- 2,2,6,6-Tetramethyl-4-acetamidopiperidine-1-oxyl Synonym
- 4-Acetoamino(2,2,6,6-tetramethylpiperidin-1-yl)oxyl Synonym
- Acetamido-TEMPO Synonym
- Acetamide-TEMPO Synonym
- ACT Synonym
- 4-Acetamido-4,4,5,5-tetramethylpiperidin-1-oxyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.30 g/mol | CAS Common Chemistry |
| 213.30099999999996 g/mol | RDKit | |
| 213.301 g/mol | RDKit | |
| 214.309 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1CC(N([O])C(C)(C)C1)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=UXBLSWOMIHTQPH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144-146 °C | CAS Common Chemistry |
| Name | 4-Acetamido-TEMPO | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.730000000000004 Ų | RDKit |
| 55.73 Ų | RDKit | |
| 55.83 Ų | chempirical lib | |
| LogP | 2.3299000000000003 | RDKit |
| 2.3299 | RDKit | |
| Molar Refractivity | 59.44330000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 213.160302912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 213.30 g/mol. Edit any field — others recompute live.
