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Molecule
Triacetonamine
CAS: 826-36-8 · C9H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 826-36-8
- Molecular Formula
- C9H17NO
- Molecular Mass
- 155.24 g/mol
Identifiers
CAS Registry Number
826-36-8
SMILES
CC1(C)CC(=O)CC(C)(C)N1
InChI Key
JWUXJYZVKZKLTJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
Names and Synonyms
- Triacetonamine Synonym
- 4-Piperidinone, 2,2,6,6-tetramethyl- Synonym
- 4-Piperidone, 2,2,6,6-tetramethyl- Synonym
- 2,2,6,6-Tetramethyl-4-piperidinone Synonym
- 2,2,6,6-Tetramethyl-4-piperidone Synonym
- Triacetonamine Synonym
- 2,2,6,6-Tetramethyl-4-oxopiperidine Synonym
- Triacetonamin Synonym
- Vincubine Synonym
- Vincubina Synonym
- 4-Oxo-2,2,6,6-tetramethylpiperidine Synonym
- Odoratine Synonym
- IKh 196 Synonym
- NSC 16579 Synonym
- TEMP Synonym
- Violine Synonym
- Tetramethylpiperidone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.24 g/mol | CAS Common Chemistry |
| 155.241 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triacetonamine | CAS Common Chemistry |
| Boiling Point | 205 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1CC(NC(C)(C)C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JWUXJYZVKZKLTJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 36 °C | CAS Common Chemistry |
| Name | 2,2,6,6-Tetramethyl-4-piperidone | CAS Common Chemistry |
| Triacetonamine | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.1 Ų | RDKit |
| LogP | 1.4961 | RDKit |
| Molar Refractivity | 45.53470000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 155.131014164 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
External Resources
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MW = 155.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H17NO.
