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1,4-Dihydroxy-2,2,6,6-Tetramethylpiperidine
CAS: 3637-10-3 | C9H19NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3637-10-3
Molecular Formula:
C9H19NO2
Molecular Mass:
173.26 g/mol
Names and Synonyms:
1,4-Dihydroxy-2,2,6,6-Tetramethylpiperidine
4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl-
1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinol
1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine
TOLH
Tempol H
4-Hydroxy-2,2,6,6-tetramethyl-N-hydroxypiperidine
1-Hydroxy-2,2,6,6-tetramethyl-4-hydroxypiperidine
OT 674
Identifiers:
SMILES:
CC1(C)CC(O)CC(C)(C)N1O
InChI:
InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3
Key Properties
Melting Point
159 °C @ Solvent: Chloroform
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 | 173.26 g/mol | CAS Common Chemistry |
| 173.256 g/mol | RDKit | |
| 173.141578848 g/mol | RDKit | |
| Canonical SMILES | ON1C(C)(C)CC(O)CC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CSGAUKGQUCHWDP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 159 °C @ Solvent: Chloroform | CAS Common Chemistry |
| Name | 1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.7 Ų | RDKit |
| LogP | 1.3895 | RDKit |
| Molar Refractivity | 47.02430000000002 | RDKit |
