Atraton - ≥97% , CAS No.1610-17-9

CAS: 1610-17-9 Cat. No.: A140631 분자식: C₉H₁₇N₅O 분자량: 211.26 EC 번호: 216-547-5

GRADE & PURITY ≥97%

Synonyms

Atraton | Atraton [ISO] | C19098 | G32293 | G-32293 | s-Triazine, 2-(ethylamino)-4-(isopropylamino)-6-methoxy- | 2-Methoxy-4-isopropylamino-6-ethylamino-S-triazine | AI3-60360 | 2methoxy-4-ethylamino-6-isopropylamino-s-triazine | 2-methoxy-4-(1-methylethy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

Atraton | Atraton [ISO] | C19098 | G32293 | G-32293 | s-Triazine, 2-(ethylamino)-4-(isopropylamino)-6-methoxy- | 2-Methoxy-4-isopropylamino-6-ethylamino-S-triazine | AI3-60360 | 2methoxy-4-ethylamino-6-isopropylamino-s-triazine | 2-methoxy-4-(1-methylethy

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 488182110
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182110
• 정식 스마일: CCNC1=NC(=NC(=N1)OC)NC(C)C
• IUPAC Name: 4-N-ethyl-6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• InChIKey: PXWUKZGIHQRDHL-UHFFFAOYSA-N
• INCHI: 1S/C9H17N5O/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)
• 이성체 SMILES: CCNC1=NC(=NC(=N1)OC)NC(C)C
• 분자량: 211.26
• Reaxy-Rn: 613098
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=613098&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 녹는점(°C): 94～96℃
• 분자량: 211.260 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 211.143 Da
• Monoisotopic Mass: 211.143 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 178.000
• 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

참고 문헌

1. Yuze Xie, Mingwei Wang, Xi Chen, Shufen Wang, Dandan Han, Yehong Han, Hongyuan Yan.  (2019)  3-Aminophenol-glyoxylic acid resin for the determination of triazine herbicides in tomatoes.  ANALYTICA CHIMICA ACTA,      [PMID:30926030] [10.1016/j.aca.2019.01.062]

2. 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]

3. Li Xinpei, Wang Yuanpeng, Sun Qun, Xu Bo, Yang Zhaoqing, Wang Xinghua.  (2016)  Molecularly Imprinted Dispersive Solid-Phase Extraction for the Determination of Triazine Herbicides in Grape Seeds by High-Performance Liquid Chromatography.  JOURNAL OF CHROMATOGRAPHIC SCIENCE,  54  (5): (871-877).  [PMID:27013667] [10.1093/chromsci/bmw018]

4. Yang Xu, Jingyi Bao, Yuhan Ning, Weiping Wang, Ai-jun Wang, Jiu-ju Feng.  (2024)  Porous poly(bismaleimide-co-divinylbenzene) microspheres as dispersive solid-phase extraction adsorbent coupled to high-performance liquid chromatography for the determination of triazine herbicide residues in vegetable samples.  JOURNAL OF SEPARATION SCIENCE,  47  (5): (2300746).  [PMID:38471966] [10.1002/jssc.202300746]

자주 묻는 질문

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1610-17-9, the molecular formula is C9H17N5O, and the molecular weight is 211.26 g/mol. InChIKey PXWUKZGIHQRDHL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.