Piperidine, 1,3-dimethyl-
- Formula: C7H15N
- Molecular weight: 113.2007
- IUPAC Standard InChI: InChI=1S/C7H15N/c1-7-4-3-5-8(2)6-7/h7H,3-6H2,1-2H3
- IUPAC Standard InChIKey: ONQLCPDIXPYJSS-UHFFFAOYSA-N
- CAS Registry Number: 695-35-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1,3-Dimethylpiperidine; 3-Pipecoline, 1-methyl-
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.76 ± 0.05 | PE | Rozeboom and Houk, 1982 | LBLHLM |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 110. | 832. | Zhuravleva, Golovnya, et al., 1993 | 50. m/0.30 mm/0.40 μm, He |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG-40M | 110. | 970. | Zhuravleva, Golovnya, et al., 1993 | 50. m/0.30 mm/0.40 μm, He |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 826. | Farkas, Héberger, et al., 2004 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rozeboom and Houk, 1982
Rozeboom, M.D.; Houk, K.N.,
Stereospecific alkyl group effects on amine lone-pair ionization potentials: Photoelectron spectra of alkylpiperidines,
J. Am. Chem. Soc., 1982, 104, 1189. [all data]
Zhuravleva, Golovnya, et al., 1993
Zhuravleva, I.L.; Golovnya, R.V.; Kuzmenko, T.E.,
The regularities of the gas-chromatographic behavior of methyl-substituted N-alkylpiperidines,
Russ. Chem. Bull. (Engl. Transl.), 1993, 42, 10, 1677-1679, https://doi.org/10.1007/BF00697038
. [all data]
Farkas, Héberger, et al., 2004
Farkas, O.; Héberger, K.; Zenkevich, I.G.,
Quantitative structure-retention relationships. XIV. Prediction of gas chromatographic retention indices for saturated O-, N-, and S-heterocyclic compounds,
Chemom. Intell. Lab. Syst., 2004, 72, 2, 173-184, https://doi.org/10.1016/j.chemolab.2004.01.012
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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