Cyanuric acid（CA） - analytical standard, ≥99%(HPLC) , CAS No.108-80-5

CAS: 108-80-5 Cat. No.: C106083 分子式: C₃H₃N₃O₃ 分子量: 129.07 Beilstein Registry Number: 26239 EC番号: 203-618-0

GRADE & PURITY Analytical standard, ≥99%(HPLC)

Synonyms

Tox21_202362 | Tricarbimide | WDL | Kyselina kyanurova(CZECH) | Triazine-2,4,6-triol | Cyanursaeure | s-2,4,6-Triazinetriol | Zyanursaure | s-Triazine-2,4,6-trione | 2,4,6-Trihydroxy-1,3,5-triazine | Tox21_303192 | 2,4,6-Trihydroxy-S-triazine | NCGC002599

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Tox21_202362 | Tricarbimide | WDL | Kyselina kyanurova(CZECH) | Triazine-2,4,6-triol | Cyanursaeure | s-2,4,6-Triazinetriol | Zyanursaure | s-Triazine-2,4,6-trione | 2,4,6-Trihydroxy-1,3,5-triazine | Tox21_303192 | 2,4,6-Trihydroxy-S-triazine | NCGC002599

仕様と純度

analytical standard, ≥99%(HPLC)

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99%(HPLC)

名前と識別子

パブケム・シド

508811630

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508811630

カノニカル・スマイル

C1(=O)NC(=O)NC(=O)N1

IUPAC Name

1,3,5-triazinane-2,4,6-trione

InChIKey

ZFSLODLOARCGLH-UHFFFAOYSA-N

INCHI

1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

異性体SMILES

C1(=O)NC(=O)NC(=O)N1

WGKドイツ

1

分子量

129.07

Beilstein

26239

Reaxy-Rn

126982

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Triazines
      • Subclass 1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazines
• Alternative Parents: Heteroaromatic compounds Polyols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,5-triazine - Heteroaromatic compound - Azacycle - Polyol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1,3,5-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5.
• External Descriptors: an aromatic compound

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

関連ターゲット（人間）

HL-60 (67320 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Mycobacterium tuberculosis (203094 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water, slightly soluble in ethanol, soluble in concentrated sulfuric acid and hot inorganic acids.
• 融点（°C）: 360°C
• 分子量: 129.070 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.017 Da
• Monoisotopic Mass: 129.017 Da
• Topological Polar Surface Area: 87.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 135.000
• 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