Terbumeton - analytical standard , CAS No.33693-04-8

CAS: 33693-04-8 Cat. No.: T115078 Summenformel: C₁₀H₁₉N₅O Molekulargewicht: 225.29 Beilstein Registry Number: 520400 EG-Nummer: 251-637-8 PubChem CID: 36584

GRADE & PURITY Analytical standard

Synonyms

TERBUMETON|33693-04-8|Caragard|Terbuthylon|Karagard|Terbutone|Tribunil G 14259|GS 14259|1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-N'-ethyl-6-methoxy-|s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-methoxy-|A 2591|2-tert-Butylamino-4-ethylamino-6

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

TERBUMETON | 33693-04-8 | Caragard | Terbuthylon | Karagard | Terbutone | Tribunil G 14259 | GS 14259 | 1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-N'-ethyl-6-methoxy- | s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-methoxy- | A 2591 | 2-tert-Butylamino-4-ethylamino-6

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528773192
• Kanonisches Lächeln: CCNC1=NC(=NC(=N1)OC)NC(C)(C)C
• IUPAC Name: 2-N-tert-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
• InChIKey: BCQMBFHBDZVHKU-UHFFFAOYSA-N
• INCHI: 1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
• Isomere SMILES: CCNC1=NC(=NC(=N1)OC)NC(C)(C)C
• WGK Deutschland: 3
• RTECS: XY5020000
• PubChem CID: 36584
• UN-Nummer: 3077
• Molekulargewicht: 225.29
• Beilstein: 520400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: 2-methoxy-1,3,5-triazines Secondary alkylarylamines N-aliphatic s-triazines Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - 1,3,5-triazine - Heteroaromatic compound - Ether - Secondary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• External Descriptors: Triazine herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 123-124°C
• Molekulargewicht: 225.290 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 225.159 Da
• Monoisotopic Mass: 225.159 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 206.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Jilong Li, Fengze Wu, Yupu Zhang, Ji Feng, Xiujuan Wang, Yi Yang, Zhibing Wang, Hanqi Zhang.  (2022)  Application of supramolecular solvent based on the surface-active ionic liquid in dispersive liquid–liquid microextraction of triazine herbicides in tea samples.  FOOD CHEMISTRY,      [PMID:36001927] [10.1016/j.foodchem.2022.133901]

2. Wu Lijie, Li Zhanchao, Hu Mingzhu.  (2021)  Dynamic Microwave-Assisted Micelle Extraction Coupled with Cloud Point Preconcentration for the Determination of Triazine Herbicides in Soil.  JOURNAL OF CHROMATOGRAPHIC SCIENCE,  60  (5): (493-500).  [PMID:34302343] [10.1093/chromsci/bmab096]

3. Qin Zucheng, Jiang Yanxiao, Piao Huilan, Tao Shuo, Sun Ying, Wang Xinghua, Ma Pinyi, Song Daqian.  (2019)  Packed hybrids of gold nanoparticles and halloysite nanotubes for dispersive solid phase extraction of triazine herbicides, and their subsequent determination by HPLC.  MICROCHIMICA ACTA,  186  (8): (1-8).  [PMID:31267267] [10.1007/s00604-019-3578-3]

4. Li Xinpei, Sun Ying, Yuan Liming, Liang Li, Jiang Yanxiao, Piao Huilan, Song Daqian, Yu Aimin, Wang Xinghua.  (2018)  Packed hybrids of gold nanoparticles and layered double hydroxide nanosheets for microextraction of triazine herbicides from maize.  MICROCHIMICA ACTA,  185  (7): (1-9).  [PMID:29936541] [10.1007/s00604-018-2862-y]

5. Li Liang, Xinghua Wang, Ying Sun, Pinyi Ma, Xinpei Li, Huilan Piao, Yanxiao Jiang, Daqian Song.  (2017)  Magnetic solid-phase extraction of triazine herbicides from rice using metal-organic framework MIL-101(Cr) functionalized magnetic particles.  TALANTA,      [PMID:29310269] [10.1016/j.talanta.2017.11.017]

6. Xinpei Li, Shigang Wei, Ying Sun, Qun Sun, Li Liang, Bo Zhang, Huilan Piao, Daqian Song, Xinghua Wang.  (2016)  Glass slides functionalized by 1-carboxyethyl-3-methylimidazolium chloride for the determination of triazine herbicides in rice using high-performance liquid chromatography.  JOURNAL OF SEPARATION SCIENCE,  39  (23): (4585-4591).  [PMID:27696729] [10.1002/jssc.201600861]

7. Xinpei Li, Yuanpeng Wang, Qun Sun, Bo Xu, Yong Yu, Xinghua Wang.  (2015)  Molecularly imprinted solid phase extraction in a syringe filter for determination of triazine herbicides in Radix Paeoniae Alba by ultra-fast liquid chromatography.  TALANTA,      [PMID:26653483] [10.1016/j.talanta.2015.11.027]