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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
Names and Synonyms:
Triacetonamine
4-Piperidinone, 2,2,6,6-tetramethyl-
4-Piperidone, 2,2,6,6-tetramethyl-
2,2,6,6-Tetramethyl-4-piperidinone
2,2,6,6-Tetramethyl-4-piperidone
Triacetonamine
2,2,6,6-Tetramethyl-4-oxopiperidine
Triacetonamin
Vincubine
Vincubina
4-Oxo-2,2,6,6-tetramethylpiperidine
Odoratine
IKh 196
NSC 16579
TEMP
Violine
Tetramethylpiperidone
Identifiers:
SMILES:
CC1(C)CC(=O)CC(C)(C)N1
InChI:
InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
Key Properties
Boiling Point
205 °C
CAS Common Chemistry
Melting Point
36 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.24 g/mol | CAS Common Chemistry |
| 155.241 g/mol | RDKit | |
| 155.131014164 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 | RDKit |
