Dimethylphenobarbital

Formula: C₁₄H₁₆N₂O₃
Molecular weight: 260.2884
IUPAC Standard InChI: InChI=1S/C14H16N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h5-9H,4H2,1-3H3
IUPAC Standard InChIKey: RPJARFKGODFVHL-UHFFFAOYSA-N
CAS Registry Number: 730-66-5
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-phenyl-; Barbituric acid, 5-ethyl-1,3-dimethyl-5-phenyl-; N,N'-Dimethylphenobarbital; 1,3-Dimethylphenobarbital; 1,3-Dimethylphenobarbitone; Barbituric acid, 1,3-dimethyl-5-ethyl-5-phenyl-; 1,3-Dimethyl-5-ethyl-5-phenylbarbituric acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-ethyl-5-phenyl-; 5-Ethyl-1,3-dimethyl-5-phenylbarbituric acid; 1,3-Dimethyl derivative of Phenobarbitol; Phenobarbitone-permethylated; Methylphenobarbitone-permethylated; N,N-Dimethyl-5-ethyl-5-phenylbarbituric acid; Phenobarbital di-methyl derivative; Mephobarbital Me; Mephobarbital permethylated; Phenobarbital, 1,3-dimethyl; Phenobarbital, permethyl; Phenobarbital permethylated; Methylphenobarbital, permethylated; Phenobarbital Me
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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.	1881.	Gambaro, Mariani, et al., 1982	Gas Chrom P (100-120 mesh); Column length: 1.8 m
Packed	SE-30	180.	1870.	Gambaro, Mariani, et al., 1982	Gas Chrom P (100-120 mesh); Column length: 1.8 m
Packed	SE-30	180.	1880.	Gambaro, Mariani, et al., 1982	Gas Chrom P (100-120 mesh); Column length: 1.8 m
Packed	SE-30	180.	1880.	Gambaro, Mariani, et al., 1982	Gas Chrom P (100-120 mesh); Column length: 1.8 m
Packed	SE-30	180.	1881.	Gambaro, Mariani, et al., 1982	Gas Chrom P (100-120 mesh); Column length: 1.8 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Packed	SE-30	1832.	MHA, 9999	Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; T_start: 100. C; T_end: 300. C
Packed	SE-30	1831.	MHA, 9999	Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; T_start: 100. C; T_end: 300. C
Capillary	DB-1	1826.	Sharp, 1987	15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min
Capillary	DB-1	1825.	Sharp, 1987	15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min

References

Go To: Top, Gas Chromatography, Notes

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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