Ametryn
- Formula: C9H17N5S
- Molecular weight: 227.330
- IUPAC Standard InChI: InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
- IUPAC Standard InChIKey: RQVYBGPQFYCBGX-UHFFFAOYSA-N
- CAS Registry Number: 834-12-8
- 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: 1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-; s-Triazine, 2-(ethylamino)-4-(isopropylamino)-6-(methylthio)-; A 1093; Ametrine; Ametryne; Cemerin; Evik; G 34162; Gesapax; 2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine; Ametrex; 2-(Ethylamino)-4-(isopropylamino)-6-(methylmercapto)-s-triazine; 2-(Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine; 2-(Methylmercapto)-4-(ethylamino)-6-(isopropylamino)-s-triazine; 2-(Methylmercapto)-4-(isopropylamino)-6-(ethylamino)-s-triazine; 2-(Methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine; Crisatrine; N-Ethyl-N'-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine; Trinatox D; Amephyt; Doruplant; Mebatryne; N-Ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine; NSC 163044; Primatol Z 80
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, 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 | 38.5 ± 6.3 | kJ/mol | Ccb | Lyubarskii, Gromova, et al., 1985 |
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°solid | -63.1 ± 5.0 | kJ/mol | Ccb | Lyubarskii, Gromova, et al., 1985 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6510.8 ± 4.2 | kJ/mol | Ccb | Lyubarskii, Gromova, et al., 1985 |
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 by: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 125. ± 6. | kJ/mol | DSC | Vecchio and Brunetti, 2007 | |
| ΔvapH° | 118. ± 4. | kJ/mol | TGA | Vecchio and Brunetti, 2007 |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 91. ± 4. | 466. | DSC | Vecchio and Brunetti, 2007 |
| 84.9 ± 1.3 | 453. | TGA | Vecchio and Brunetti, 2007 |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 100.9 | 338. | GS-GC | Stephenson and Malanowski, 1987 | Based on data from 323. to 403. K. See also Friedrich and Stammbach, 1964. |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 26.0 | 359.1 | DSC | Vecchio and Brunetti, 2007 |
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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| 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 | MASS SPECTROMETRY CENTER, UNIV. OF UTAH EPA-PTSEL 0120 |
| NIST MS number | 59427 |
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 | OV-1 | 160. | 1860. | Erdmann, Rochholz, et al., 1992 | |
| Capillary | OV-1 | 190. | 1869. | Erdmann, Rochholz, et al., 1992 | |
| Capillary | OV-1 | 220. | 1872. | Erdmann, Rochholz, et al., 1992 | |
| Capillary | OV-101 | 190. | 1882. | Valko and Lopata, 1982 | |
| Capillary | OV-101 | 190. | 1882. | Matisová, Krupcík, et al., 1979 | N2; Column length: 69.7 m; Column diameter: 0.24 mm |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1911. | Tanabe, Mitobe, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 215. | 2837. | Leclercq and Pacáková, 1979 | N2, Chromosorb W |
| Packed | Carbowax 20M | 190. | 2859. | Matisová, Krupcík, et al., 1979 | N2, Chromosorb W AW (80-100 mesh); Column length: 1.3 m |
| Packed | Carbowax 20M | 215. | 2837. | Pacáková and Nemec, 1978 | N2, Chromosorb W; Column length: 1.4 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SLB-5MS | 1907. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
| Capillary | SLB-5MS | 1912. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1916. | Department of Food Safety and Welfare, 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min) |
| Capillary | HP-5 | 1911. | Kawara, Asada, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 50 0C (1 min) 20 0C/min -> 150 0C 10 0C/min -> 280 0C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 2837. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lyubarskii, Gromova, et al., 1985
Lyubarskii, M.V.; Gromova, T.I.; Sukhanova, T.G.; Motorova, T.N.,
Heats of combustion and of formation of ametrin and prometrin,
Russ. J. Phys. Chem. (Engl. Transl.), 1985, 59, 498-500. [all data]
Vecchio and Brunetti, 2007
Vecchio, Stefano; Brunetti, Bruno,
Vapor Pressures and Standard Molar Sublimation Enthalpies of Three 6-Methylthio-2,4-di(alkylamino)-1,3,5-triazine Derivatives: Simetryn, Ametryn, and Terbutryn,
J. Chem. Eng. Data, 2007, 52, 5, 1585-1594, https://doi.org/10.1021/je600580r
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Friedrich and Stammbach, 1964
Friedrich, K.; Stammbach, K.,
Gas chromatographic determination of small vapour pressures determination of the vapour pressures of some triazine herbicides,
Journal of Chromatography A, 1964, 16, 22-28, https://doi.org/10.1016/S0021-9673(01)82436-5
. [all data]
Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H.,
Retention-indices on OV-1 of approximately 170 commonly used pesticides,
Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093
. [all data]
Valko and Lopata, 1982
Valko, K.; Lopata, A.,
Applicability of Gas-Liquid Chromatography in Determining Liquid-Liquid Partition Data,
J. Chromatogr., 1982, 252, 77-90, https://doi.org/10.1016/S0021-9673(01)88399-0
. [all data]
Matisová, Krupcík, et al., 1979
Matisová, E.; Krupcík, J.; Líska, O.; Szentiványi, N.,
Qualitative analysis of multi-component s-triazine herbicides by gas-liquid chromatography,
J. Chromatogr., 1979, 169, 261-269, https://doi.org/10.1016/0021-9673(75)85049-7
. [all data]
Tanabe, Mitobe, et al., 2000
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.; Yasuhara, A.,
New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometry,
J. AOAC Int., 2000, 83, 1, 61-77. [all data]
Leclercq and Pacáková, 1979
Leclercq, P.A.; Pacáková, V.,
Gas Chromatography and Mass Spectrometry of Bis(alkylamino)-s-triazines,
J. Chromatogr., 1979, 178, 1, 193-207, https://doi.org/10.1016/S0021-9673(00)89708-3
. [all data]
Pacáková and Nemec, 1978
Pacáková, V.; Nemec, I.,
Gas chromatographic, spectrophotometric and electrochemical behaviour of subsitituted s-triazines,
J. Chromatogr., 1978, 148, 1, 273-281, https://doi.org/10.1016/S0021-9673(00)99348-8
. [all data]
Mondello, Casilli, et al., 2007
Mondello, L.; Casilli, A.; Tranchida, P.Q.; Presti, M.L.; Dugo, P.; Dugo, G.,
Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix,
Anal. Bioanal. Chem., 2007, 389, 6, 1755-1763, https://doi.org/10.1007/s00216-007-1412-y
. [all data]
Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare,
Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]
Kawara, Asada, et al., 2005
Kawara, K.; Asada, T.; Oikawa, K.; Tanabe, A.,
Multiresidue determination of pesticides in sediments by ultrasonically assisted extraction and gas chromatography/mass spectrometry,
J. AOAC International, 2005, 88, 5, 1440-1451. [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]
Notes
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- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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