2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylbutyl)-
- Formula: C13H22N2O3
- Molecular weight: 254.3254
- IUPAC Standard InChI: InChI=1S/C13H22N2O3/c1-6-8-9(3)13(7-2)10(16)14(4)12(18)15(5)11(13)17/h9H,6-8H2,1-5H3
- IUPAC Standard InChIKey: VZZFPHAKJNPXQY-UHFFFAOYSA-N
- CAS Registry Number: 28239-47-6
- 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: Barbituric acid, 5-ethyl-1,3-dimethyl-5-(1-methylbutyl)-; Dimethylpentobarbital; N,N'-Dimethylpentobarbital; Barbituric acid, 1,3-dimethyl-5-ethyl-5-(1-methylbutyl)-; 1,3-Dimethyl-5-ethyl-5-(1-methylbutyl)barbituric acid; 1,3-Dimethylpentobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylbuthyl)-; Pentobarbitone-permethylated; 1,3-Dimethyl derivative of pentobarbital; 5-Ethyl-1,3-dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; Pentobarbital, 1,3-dimethyl; Pentobarbital permethylated; Pentobarbital Me
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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 |
|---|---|---|---|---|---|
| Packed | SE-30 | 180. | 1664. | Gambaro, Mariani, et al., 1982 | Gas Chrom P (100-120 mesh); Column length: 1.8 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1632. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
| Capillary | DB-1 | 1618. | Sharp, 1987 | 15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gambaro, Mariani, et al., 1982
Gambaro, V.; Mariani, R.; Marozzi, E.,
Flash alkylation for the identification of barbiturates in biological material,
J. Anal. Toxicol., 1982, 6, 6, 321-323, https://doi.org/10.1093/jat/6.6.321
. [all data]
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Sharp, 1987
Sharp, M.E.,
A rapid screening procedure for acidic and neutral drugs in blood by high resolution gas chromatography,
J. Anal. Toxicol., 1987, 11, 1, 8-11, https://doi.org/10.1093/jat/11.1.8
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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