Theophylline, n-propyl derivative
- Formula: C10H14N4O2
- Molecular weight: 222.2438
- IUPAC Standard InChI: InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: HGFWMGARSDHJFP-UHFFFAOYSA-N
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Gas Chromatography
Go To: Top, References, Notes
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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1997. | Regal, Howald, et al., 1998 | 30. m/0.32 mm/0.26 μm, He; Program: 150C (1min) => 20C/min => 210C (1min) => 5C/min => 250C (5min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Regal, Howald, et al., 1998
Regal, K.A.; Howald, W.N.; Peter, R.M.; Gartner, C.A.; Kunze, K.L.; Nelson, S.D.,
Subnanomolar quantification of caffeine's in vitro metabolites by stable isotope dilution gas chromatography-mass spectrometry,
J. Chromatogr. B, 1998, 708, 1-2, 75-85, https://doi.org/10.1016/S0378-4347(97)00656-7
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.