2,4,6-Trimethyl-1,3,5-triazine - ≥98% , CAS No.823-94-9

CAS: 823-94-9 Cat. No.: T304723 Molecular Weight: 123.16 EC Number: 977-034-6 PubChem CID: 13208

GRADE & PURITY ≥98%

Synonyms

2,4,6-trimethyl-[1,3,5]triazine | SCHEMBL92460 | s-Triazine, 2,4,6-trimethyl- | MFCD00456896 | 2,4,6-Trimethyl-1,3,5-triazine | SB73694 | AI3-61023 | AKOS027324978 | DTXSID80231678 | trimethyl-1,3,5-triazine | SY270782 | YSWG313 | AS-60791 | Trimethyl-s-t

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

2, 4, 6-trimethyl-[1, 3, 5]triazine | SCHEMBL92460 | s-Triazine, 2, 4, 6-trimethyl- | MFCD00456896 | 2, 4, 6-Trimethyl-1, 3, 5-triazine | SB73694 | AI3-61023 | AKOS027324978 | DTXSID80231678 | trimethyl-1, 3, 5-triazine | SY270782 | YSWG313 | AS-60791 | Trimethyl-s-t

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181813
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181813
• Canonical Smiles: CC1=NC(=NC(=N1)C)C
• IUPAC Name: 2,4,6-trimethyl-1,3,5-triazine
• InChIKey: LASVAZQZFYZNPK-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3/c1-4-7-5(2)9-6(3)8-4/h1-3H3
• Isomeric SMILES: CC1=NC(=NC(=N1)C)C
• PubChem CID: 13208
• Molecular Weight: 123.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: 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: Not available

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

Chemical and Physical Properties

• Molecular Weight: 123.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 123.08 Da
• Monoisotopic Mass: 123.08 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 63.300
• 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

References

1. Qianqian Du, Fei Qu, Beibei Mao, Shuyun Zhu, Jinmao You.  (2016)  Turn-on fluorescent detection of melamine based on Ag nanoclusters–Hg2+ system.  NEW JOURNAL OF CHEMISTRY,  40  (10): (8459-8464).  [PMID:] [10.1039/C6NJ01338D]

2. Yingfei Hui, Yuli Wei, Hao Guo, Mingyue Wang, Liping Peng, Borong Ren, Yanyan Ma, Wu Yang.  (2025)  An artificial neural network model based on CDs@MOF/COF composites for the ultra-sensitive fluorescence detection of glyphosate.  FOOD CHEMISTRY,      [PMID:40617200] [10.1016/j.foodchem.2025.145361]

3. Yingfei Hui, Hao Guo, Mingyue Wang, Liping Peng, Henglong Ren, Borong Ren, Wu Yang.  (2025)  A boronic acid functionalized fully conjugated covalent organic framework for significantly improved affinity and fluorescence detection for sialic acid.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.137876]