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Molecule
1,4-Dihydroxy-2,2,6,6-Tetramethylpiperidine
CAS: 3637-10-3 · C9H19NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3637-10-3
- Molecular Formula
- C9H19NO2
- Molecular Mass
- 173.26 g/mol
Identifiers
CAS Registry Number
3637-10-3
SMILES
CC1(C)CC(O)CC(C)(C)N1O
InChI Key
CSGAUKGQUCHWDP-UHFFFAOYSA-N
InChI
InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3
Names and Synonyms
- 1,4-Dihydroxy-2,2,6,6-Tetramethylpiperidine Systematic Name
- 4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl- Synonym
- 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinol Synonym
- 1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine Synonym
- TOLH Synonym
- Tempol H Synonym
- 4-Hydroxy-2,2,6,6-tetramethyl-N-hydroxypiperidine Synonym
- 1-Hydroxy-2,2,6,6-tetramethyl-4-hydroxypiperidine Synonym
- OT 674 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.26 g/mol | CAS Common Chemistry |
| 173.256 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 |
| 43.47 Ų | chempirical lib | |
| LogP | 1.3895 | RDKit |
| Molar Refractivity | 47.02430000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 173.141578848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 173.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H19NO2.
