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Molecule
4-Piperidinone, 2,2,6,6-Tetramethyl-, Hydrochloride (1:1)
CAS: 33973-59-0 · C9H18ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 33973-59-0
- Molecular Formula
- C9H18ClNO
- Molecular Mass
- 191.70 g/mol
Identifiers
CAS Registry Number
33973-59-0
SMILES
CC1(C)CC(=O)CC(C)(C)N1.Cl
InChI Key
ZXNWYMNKYXUZGM-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H
Names and Synonyms
- 4-Piperidinone, 2,2,6,6-Tetramethyl-, Hydrochloride (1:1) Synonym
- 4-Piperidinone, 2,2,6,6-tetramethyl-, hydrochloride (1:1) Synonym
- 4-Piperidinone, 2,2,6,6-tetramethyl-, hydrochloride Synonym
- 4-Piperidone, 2,2,6,6-tetramethyl-, hydrochloride Synonym
- 2,2,6,6-Tetramethyl-4-piperidone hydrochloride Synonym
- Triacetonamine hydrochloride Synonym
- 2,2,6,6-Tetramethyl-4-piperidinone hydrochloride Synonym
- 2,2,6,6-Tetramethyl-4-piperidonium chloride Synonym
- 2,2,6,6-Tetramethyl-4-oxopiperidine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.70 g/mol | CAS Common Chemistry |
| 191.70200000000003 g/mol | RDKit | |
| 191.702 g/mol | RDKit | |
| 191.699 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C1CC(NC(C)(C)C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZXNWYMNKYXUZGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Piperidinone, 2,2,6,6-tetramethyl-, hydrochloride (1:1) | 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 | 29.1 Ų | RDKit |
| LogP | 1.9179 | RDKit |
| Molar Refractivity | 52.78270000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 191.107691876 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 = 191.70 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18ClNO.
