Amobarbital
- Formula: C11H18N2O3
- Molecular weight: 226.2722
- IUPAC Standard InChIKey: VIROVYVQCGLCII-UHFFFAOYSA-N
- CAS Registry Number: 57-43-2
- 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: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-; Barbituric acid, 5-ethyl-5-isopentyl-; Amal; Amasust; Amital; Amobarbitone; Amospan; Amybal; Amylbarbitone; Amylobarbital; Amylobarbitone; Amytal; Barbamyl acid; Binoctal; Dorlotyn; Dormytal; Ethylisopentylbarbituric acid; Eunoctal; Isoamylethylbarbituric acid; Isomytal; Mylodorm; Pentymal; Pentymalum; Robarb; Schiwanox; Sednotic; Somnal; Stadadorm; Sumital; Talamo; 5-Ethyl-5-(3-methylbutyl)barbituric acid; 5-Ethyl-5-isoamylbarbituric acid; 5-Ethyl-5-isopentylbarbituric acid; 5-Isoamyl-5-ethylbarbituric acid; Barbamil; Barbamyl; NSC 10815; 5-Ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Ethyl-5-isoamylmalonyl urea; Isomyl; Barbituric acid, 5-ethyl-5-isoamyl-; 5-Ethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione; Dexamyl; component of Amo-Dextrosule; component of Dexamyl; component of Q-Caps; component of 15-90
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
IR Spectrum
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 by: Coblentz Society, Inc.
Condensed Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
View scan of original (hardcopy) spectrum.
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Source reference | COBLENTZ NO. 05026 |
Date | 1963/04/15 |
Name(s) | 5-ethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione AMOBARBITAL |
State | SOLID (KBr DISC) |
Instrument | PERKIN-ELMER 21 (GRATING) |
Instrument parameters | FILTER AT ABOUT 10 MICRONS |
Path length | SPECTRAL FEATURE AT 1000 CM-1 IS AFFECTED BY AN ARTIFACT CAUSED BY FILTER CHANGE |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Melting point | 156-158 C |
Gas Chromatography
Go To: Top, IR Spectrum, 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-5 | 220. | 1735. | Phillips, Logan, et al., 1990 | 15. m/0.25 mm/0.2 μm, He |
Capillary | BP-1 | 200. | 1695. | Japp, Gill, et al., 1987 | 25. m/0.22 mm/0.25 μm, N2 |
Capillary | DB-1 | 200. | 1694. | Japp, Gill, et al., 1987 | 30. m/0.53 mm/1.5 μm, N2 |
Capillary | BP-1 | 200. | 1705. | Japp, Gill, et al., 1987 | 25. m/0.53 mm/1. μm, N2 |
Capillary | SPB-1 | 250. | 1727. | Lora-Tamayo, Rams, et al., 1986 | He; Column length: 25. m; Column diameter: 0.20 mm |
Packed | SE-30 | 200. | 1700. | Stead, Gill, et al., 1982 | |
Packed | OV-1 | 200. | 1715. | Berninger and Möller, 1977 | |
Packed | OV-101 | 200. | 1710. | Möller, 1976 | N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m |
Packed | OV-101 | 200. | 1710. | Möller, 1976 | N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m |
Packed | OV-101 | 200. | 1715. | Möller, 1976 | N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m |
Packed | OV-101 | 200. | 1715. | Möller, 1976 | N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1710. | Maurer, 1990 | N2, 100. C @ 3. min, 30. K/min, 310. C @ 5. min |
Capillary | SE-30 | 1698. | Schepers, Wijsbeek, et al., 1982 | 12. m/0.22 mm/0.45 μm, He, 120. C @ 2. min, 8. K/min, 300. C @ 12. min |
Capillary | SE-30 | 1696. | Schepers, Wijsbeek, et al., 1982 | 25. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-101 | 1760. | McLinden and Stenhouse, 1979 | N2, Chromosorb W; Column length: 2. m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1752.9 | Tretyakov, 2014 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Capillary | SPB-1 | 1718. | Christ, Noomano, et al., 1988 | 30. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; Tstart: 160. C |
Capillary | CBP-1 | 1682. | Oyama, Sano, et al., 1987 | N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; Tstart: 120. C; Tend: 250. C |
Capillary | DB-1 | 1697. | Perrigo, Peel, et al., 1985 | 15. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
Capillary | Methyl Silicone | 1690.0 | Newton and Foery, 1984 | 12. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 20. K/min, 300. C @ 3. min |
Capillary | 5 % Phenyl methyl siloxane | 1737.0 | Newton and Foery, 1984 | 12. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 20. K/min, 300. C @ 3. min |
Capillary | DB-1 | 1697. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
Packed | SE-30 | 1720. | Perrigo and Peel, 1981 | N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 5 CB | 1711. | Aderjan and Bogusz, 1988 | 10. m/0.53 mm/5.0 μm, He; Program: 100 0C (2 min ) 15 0C/min -> 200 0C 10 0C/min -> 300 0C (8 min hold) |
Capillary | BP-1 | 1697. | Stowell and Wilson, 1987 | 12. m/0.22 mm/0.25 μm, He; Program: 120C => 8C/min => 270C => 25C/min => 300C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-101 | 180. | 1714. | Dubsky, Hána, et al., 1978 | Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m |
Packed | OV-101 | 200. | 1702. | Dubsky, Hána, et al., 1978 | Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m |
Packed | OV-101 | 200. | 1715. | Dubsky, Hána, et al., 1978 | Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m |
Packed | OV-101 | 200. | 1725. | Möller, 1976 | N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1695. | MHA, 9999 | Tstart: 100. C; Tend: 300. C |
Capillary | DB-1 | 1685. | Anderson and Fuller, 1987 | 10. m/0.53 mm/2.65 μm, He, 5. K/min; Tstart: 130. C; Tend: 230. C |
Capillary | DB-1 | 1692. | Sharp, 1987 | 15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min |
Capillary | BP-1 | 1697. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He, 8. K/min; Tstart: 120. C; Tend: 280. C |
Capillary | BP-1 | 1690. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He, 20. K/min; Tstart: 50. C; Tend: 300. C |
Packed | SE-30 | 1750. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C |
Packed | SE-30 | 1718. | Peel and Perrigo, 1976 | Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Packed | SE-30 | 1697. | Peel and Perrigo, 1976 | Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Packed | SE-30 | 1710. | Peel and Perrigo, 1976 | Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Packed | SE-30 | 1711. | Peel and Perrigo, 1976 | Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Packed | SE-30 | 1712. | Peel and Perrigo, 1976 | Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Packed | SE-30 | 1713. | Peel and Perrigo, 1976 | Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Packed | SE-30 | 1721. | Peel and Perrigo, 1976 | Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Packed | SE-30 | 1718. | Peel and Perrigo, 1975 | N2, Chromosorb W AW DMS, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1689. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: 120 0X 8 0C/min -> 270 0C 25 0C/min -> 300 0C (5 min) |
Capillary | BP-1 | 1692. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: 120 0X 8 0C/min -> 270 0C 25 0C/min -> 300 0C (5 min) |
Capillary | BP-1 | 1697. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: 120 0X 8 0C/min -> 270 0C 25 0C/min -> 300 0C (5 min) |
Capillary | BP-1 | 1691. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: not specified |
Capillary | BP-1 | 1691. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: not specified |
Capillary | BP-1 | 1695. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: not specified |
Capillary | BP-1 | 1703. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: not specified |
Capillary | BP-1 | 1697. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: 120 0X 8 0C/min -> 270 0C 25 0C/min -> 300 0C (5 min) |
Capillary | BP-1 | 1725. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: not specified |
Other | Methyl Silicone | 1718. | Ardrey and Moffat, 1981 | Program: not specified |
Packed | OV-101 | 1714. | Dubsky, Hána, et al., 1978 | Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m; Program: not specified |
Packed | OV-101 | 1725. | Dubsky, Hána, et al., 1978 | Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m; Program: not specified |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Phillips, Logan, et al., 1990
Phillips, A.M.; Logan, B.K.; Stafford, D.T.,
Further applications for capillary gas chromatography in routine quantitative toxicological analyses,
J. Hi. Res. Chromatogr., 1990, 13, 11, 754-758, https://doi.org/10.1002/jhrc.1240131106
. [all data]
Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D.,
Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns,
J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]
Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R.,
Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns,
J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5
. [all data]
Stead, Gill, et al., 1982
Stead, A.H.; Gill, R.; Evans, A.T.; Moffat, A.C.,
Predictions of gas chromatographic retention characteristics of barbiturates from molecular structure,
J. Chromatogr., 1982, 234, 2, 277-283, https://doi.org/10.1016/S0021-9673(00)81866-X
. [all data]
Berninger and Möller, 1977
Berninger, H.; Möller, M.R.,
Retentionsindices zur gaschromatographischen Identifizierung von Arzneimitteln,
Arch. Toxicol., 1977, 37, 4, 295-305, https://doi.org/10.1007/BF00330821
. [all data]
Möller, 1976
Möller, M.R.,
Comparability of retention indices of polar substances at elevated temperatures,
Chromatographia, 1976, 9, 7, 311-314, https://doi.org/10.1007/BF02268832
. [all data]
Maurer, 1990
Maurer, H.H.,
Identification and differentiation of barbiturates, other sedative-hypnotics and their metabolites in urine integrated in a general screening procedure using computerized gas chromatography-mass spectrometry,
J. Chromatogr., 1990, 530, 307-326, https://doi.org/10.1016/S0378-4347(00)82334-8
. [all data]
Schepers, Wijsbeek, et al., 1982
Schepers, P.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A.,
Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indices,
J. Forensic Sci., 1982, 27, 1, 49-60. [all data]
McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M.,
A chromatography system for drug identification,
Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2
. [all data]
Tretyakov, 2014
Tretyakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Christ, Noomano, et al., 1988
Christ, D.W.; Noomano, P.; Rosas, M.; Rhone, D.,
Retention indices by wide-bore capillary gas chromatography with nitrogen-phosphorus detection,
J. Anal. Toxicol., 1988, 12, 2, 84-88, https://doi.org/10.1093/jat/12.2.84
. [all data]
Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K.,
Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices,
Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342
. [all data]
Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J.,
Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology.,
J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6
. [all data]
Newton and Foery, 1984
Newton, B.; Foery, R.F.,
Retention indices and dual capillary gas chromatography for rapid identification of sedative hypnotic drugs in emergency toxicology,
J. Anal. Toxicol., 1984, 8, 3, 129-134, https://doi.org/10.1093/jat/8.3.129
. [all data]
Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W.,
Condierations in developing a data base for drugs on a DBI capillary column,
J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360
. [all data]
Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W.,
The use of retention indices and temperature-programmed gas chromatography in analytical toxicology,
J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219
. [all data]
Aderjan and Bogusz, 1988
Aderjan, R.; Bogusz, M.,
Nitroalkanes as a multidetector retention index scale for drug identification in gas chromatography,
J. Chromatogr., 1988, 454, 345-351, https://doi.org/10.1016/S0021-9673(00)88629-X
. [all data]
Stowell and Wilson, 1987
Stowell, A.; Wilson, L.W.,
A simple approach to the interlaboratory transfer of drug retention indices determined by temperature programmed capillary gas chromatography,
J. Forensic Sci., 1987, 32, 5, 1214-1220. [all data]
Dubsky, Hána, et al., 1978
Dubsky, H.; Hána, K.; Komárková, M.; Rittich, B.,
Pouzití kovatsovych indexu pri toxikologickych analysách,
Chem. Listy, 1978, 72, 980-984. [all data]
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Anderson and Fuller, 1987
Anderson, W.H.; Fuller, D.C.,
A simplified procedure for the isolation, characterization, and identification of weak acid and neutral drugs from whole blood,
J. Anal. Toxicol., 1987, 11, 5, 198-204, https://doi.org/10.1093/jat/11.5.198
. [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]
Stowell and Wilson, 1985
Stowell, A.; Wilson, L.,
Use of retention indices in drug screening by capillary gas chromatography, Rep. # CD 2362, Department of Scientific and Industrial Reseach, Chemistry Division, Lower Hutt, NZ, 1985, 32. [all data]
Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F.,
Use of the retention index in gas chromatographic studies of drugs,
J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185
. [all data]
Peel and Perrigo, 1976
Peel, H.W.; Perrigo, B.,
A practical gas chromatographic screening procedure for toxicological analysis,
Can. Soc. Forens. Sci. J., 1976, 9, 2, 69-74, https://doi.org/10.1080/00085030.1976.10757247
. [all data]
Peel and Perrigo, 1975
Peel, H.W.; Perrigo, B.,
A practical gas chromatographic screening procedure for toxicological analysis,
Can.Soc.Forens.Sci.J., 1975, 9, 2, 69-74, https://doi.org/10.1080/00085030.1976.10757247
. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, IR Spectrum, 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.