Diethylpropion
- Formula: C13H19NO
- Molecular weight: 205.2961
- IUPAC Standard InChIKey: XXEPPPIWZFICOJ-UHFFFAOYSA-N
- CAS Registry Number: 90-84-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Amfepramone; 1-Propanone, 2-(diethylamino)-1-phenyl-; Diethylcathionine; Propiophenone, 2-(diethylamino)-; α-Benzoyltriethylamine; Adiposon; Amfepramon; Amphepramon; Amphepramone; Anorex; Cegramine; Danylen; Derfon; Diethylpropione; Dobesin; Frekentine; Magrene; Neobes; Nopropiophenone; Obesitex; Silutin; Tepanil; Tylinal; 2-(Diethylaminopropio)phenone; α-Diethylaminopropiophenone; Fenyl-(1-diethylaminoethyl)keton; 1-Phenyl-2-diethylamino-1-propanone; UR 1423; 2-(Diethylamino)-1-phenyl-1-propanone; Tenuate; Magrex Retard; Menutil; Moderatan; Nu-Dispoz
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -29.66 ± 0.36 | kcal/mol | Ccb | Welle, Verevkin, et al., 1994 |
Condensed phase thermochemistry data
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -46.77 ± 0.26 | kcal/mol | Ccb | Welle, Verevkin, et al., 1994 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1824.9 ± 0.26 | kcal/mol | Ccb | Welle, Verevkin, et al., 1994 |
Phase change data
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 17.1 ± 0.24 | kcal/mol | V | Welle, Verevkin, et al., 1994 | ALS |
ΔvapH° | 17.1 ± 0.24 | kcal/mol | GS | Welle, Verevkin, et al., 1994 | Based on data from 293. to 333. K.; AC |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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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
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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. 05175 |
Date | 1964/05/21 |
Name(s) | 2-(diethylamino)-1-phenyl-1-propanone Alpha-DIETHYLAMINOPROPIOPHENONE |
State | SOLUTION (CS2 FOR 2-15 microns, AND C2Cl4 FOR 5-7.1 microns) |
Instrument | PERKIN-ELMER 21 (GRATING) |
Instrument parameters | FILTER AT ABOUT 10 MICRONS |
Path length | 0.1 CM |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | AAFS Toxicology Section MS DB Committee, U. Alberta, Canada |
NIST MS number | 246177 |
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 | BP-1 | 130. | 1476. | Japp, Gill, et al., 1987 | 25. m/0.22 mm/0.25 μm, N2 |
Capillary | BP-1 | 130. | 1489. | Japp, Gill, et al., 1987 | 25. m/0.53 mm/1. μm, N2 |
Packed | Apiezon L | 160. | 1490. | Huber, Kenndler, et al., 1979 | |
Packed | Apiezon L | 160. | 1518. | Donike and Stratmann, 1976 | Chromosorb W |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-101 | 1490. | McLinden and Stenhouse, 1979 | N2, Chromosorb W; Column length: 2. m; Program: not specified |
Packed | SE-30 | 1480. | Moffat, Stead, et al., 1974 | Column length: 2. m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-20M | 160. | 1965. | Huber, Kenndler, et al., 1979 | N2 |
Packed | PEG-20M | 160. | 1965. | Donike and Stratmann, 1976 | Chromosorb W |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1515. | Tretyakov, 2014 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Capillary | SE-30 | 1470. | Anderson and Stafford, 1983 | 15. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C |
Packed | SE-30 | 1495. | 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 | BP-1 | 1483. | 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 |
---|---|---|---|---|---|
Capillary | Apieson L / KOH | 150. | 1472. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 150. | 1477. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 150. | 1478. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 190. | 1495. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 190. | 1500. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 190. | 1503. | Caddy, Fish, et al., 1973 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1470. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C |
Packed | OV-1 | 1465. | 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 | 1475. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1483. | 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 | 1480. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1470. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1486. | Ardrey and Moffat, 1981 | Program: not specified |
Capillary | Methyl Silicone | 1485. | Pearson and Brown, 1978 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M / KOH | 150. | 1982. | Caddy, Fish, et al., 1973 | |
Capillary | Carbowax 20M / KOH | 150. | 1991. | Caddy, Fish, et al., 1973 | |
Capillary | Carbowax 20M / KOH | 150. | 1999. | Caddy, Fish, et al., 1973 | |
Capillary | Carbowax 20M / KOH | 190. | 2011. | Caddy, Fish, et al., 1973 | |
Capillary | Carbowax 20M / KOH | 190. | 2023. | Caddy, Fish, et al., 1973 | |
Capillary | Carbowax 20M / KOH | 190. | 2032. | Caddy, Fish, et al., 1973 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Welle, Verevkin, et al., 1994
Welle, f.; Verevkin, S.P.; Keller, M.; Beckhaus, H.-D.; Ruchardt, C.,
Kinetische und thermodynamische Stabilitat von 2,3-Bis(dialkylamino)-1,4-diketonen - Stabilisierungsenergie capto-dativ substituierter α-Dialkylamino-α-Carbonylalkyl-Radikale,
Chem. Ber., 1994, 127, 697-710. [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]
Huber, Kenndler, et al., 1979
Huber, J.F.K.; Kenndler, E.; Reich, G.,
Quantitation of the Information Content of Multi-Dimensional Gas Chromatography and Low- Resolution Mass Spectrometry in the Identification of Doping Drugs,
J. Chromatogr., 1979, 172, 1, 15-30, https://doi.org/10.1016/S0021-9673(00)90941-5
. [all data]
Donike and Stratmann, 1976
Donike, M.; Stratmann, D.,
Gas-chromatographische identifizierung von stimulantien der phenyläthylaminreihe mit hilfe der retnetions-indices,
Z. Anal. Chem., 1976, 279, 2, 129-131, https://doi.org/10.1007/BF00440798
. [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]
Moffat, Stead, et al., 1974
Moffat, A.C.; Stead, A.H.; Smalldon, K.W.,
Optimum use of paper, thin-layer and gas-liquid chromatography for the identification of basic drugs. III. Gas-liquid chromatography,
J. Chromatogr., 1974, 90, 1, 19-33, https://doi.org/10.1016/S0021-9673(01)94770-3
. [all data]
Tretyakov, 2014
Tretyakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Anderson and Stafford, 1983
Anderson, W.H.; Stafford, D.T.,
Applications of capillary gas chromatography in routine toxicological analyses,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 5, 247-254, https://doi.org/10.1002/jhrc.1240060506
. [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]
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]
Caddy, Fish, et al., 1973
Caddy, B.; Fish, F.; Scott, D.,
Chromatographic screening for drugs of abuse using capillary columds. II. Peak identification on support coated open tubular columns for a series of central nervous system stimulating drugs,
Chromatographia, 1973, 6, 7, 293-300, https://doi.org/10.1007/BF02269329
. [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]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [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]
Pearson and Brown, 1978
Pearson, E.F.; Brown, C.,
The development and applications of the computer system of the Home Office Central Research Establishment, Instrument Applications in Forensic Drug Chemistry, Proceedings of the International Symposium, May 29-30, 1978, 1978, 299. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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