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Molecule
2,2,6,6-Tetramethylpiperidine
CAS: 768-66-1 · C9H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 768-66-1
- Molecular Formula
- C9H19N
- Molecular Mass
- 141.26 g/mol
Identifiers
CAS Registry Number
768-66-1
SMILES
CC1(C)CCCC(C)(C)N1
InChI Key
RKMGAJGJIURJSJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3
Names and Synonyms
- 2,2,6,6-Tetramethylpiperidine Synonym
- Piperidine, 2,2,6,6-tetramethyl- Synonym
- 2,2,6,6-Tetramethylpiperidine Synonym
- Norpempidine Synonym
- TEMP Synonym
- NSC 102838 Synonym
- TMPH Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.26 g/mol | CAS Common Chemistry |
| 141.258 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,2,6,6-Tetramethylpiperidine | CAS Common Chemistry |
| Boiling Point | 156 °C | CAS Common Chemistry |
| Canonical SMILES | N1C(C)(C)CCCC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RKMGAJGJIURJSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | 2,2,6,6-Tetramethylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.3171 | RDKit |
| Molar Refractivity | 45.144700000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 141.151749608 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.
External Resources
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MW = 141.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H19N.
