2-Methoxy-4-methyl-6-(methylamino)-1,3,5-triazine - ≥97% , CAS No.5248-39-5

CAS: 5248-39-5 Cat. No.: M118002 Molecular Weight: 154.17 Beilstein Registry Number: 26(5)9,408 EC Number: 401-360-5

GRADE & PURITY ≥97%

Synonyms

2-methoxy-4-methyl-6-methylamino-1,3,5-triazine | C8H22N2O3Si | 2-Methoxy-4-methyl-6-(methylamino)-1,3,5-triazine | 2-Methyl-4-Methylamino-6-Methoxy-1,3,5-Triazine | 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine | A23958 | 1,3,5-Triazin-2-amine, 4-methoxy-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-methoxy-4-methyl-6-methylamino-1, 3, 5-triazine | C8H22N2O3Si | 2-Methoxy-4-methyl-6-(methylamino)-1, 3, 5-triazine | 2-Methyl-4-Methylamino-6-Methoxy-1, 3, 5-Triazine | 4-Methoxy-N, 6-dimethyl-1, 3, 5-triazin-2-amine | A23958 | 1, 3, 5-Triazin-2-amine, 4-methoxy-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488188326
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188326
• Canonical Smiles: CC1=NC(=NC(=N1)OC)NC
• IUPAC Name: 4-methoxy-N,6-dimethyl-1,3,5-triazin-2-amine
• InChIKey: MNDSUSQBIDHEJU-UHFFFAOYSA-N
• INCHI: 1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10)
• Isomeric SMILES: CC1=NC(=NC(=N1)OC)NC
• WGK Germany: 3
• RTECS: XY2905180
• Molecular Weight: 154.17
• Beilstein: 26(5)9,408
• Reaxy-Rn: 609147
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=609147&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,3,5-triazines
        • Level5 Alkoxy-S-triazines
          • Level6 2-methoxy-1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Alkoxy-S-triazines
• Direct Parent: 2-methoxy-1,3,5-triazines
• Alternative Parents: Secondary alkylarylamines N-aliphatic s-triazines Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-methoxy-1,3,5-triazine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-methoxy-1,3,5-triazines. These are aromatic heterocyclic compounds containing a 1,3,5-triazine ring, which is substituted at the 2-position with a methoxy group.
• 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

• Melt Point(°C): 162-166°C
• Molecular Weight: 154.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 154.085 Da
• Monoisotopic Mass: 154.085 Da
• Topological Polar Surface Area: 59.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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

References

1. Fang Xu, Yukuai Zhang, Longfei Su, Zhenxing Guo, Qiang Cheng, Liqiang Xu, Feng Wang, Guoping Sheng.  (2024)  Solar-Light-Mediated Phototransformation of Herbicide Tribenuron-Methyl Initiated by Its Coexisting Nitrate Ion in Sunlit Agricultural Drainages.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39720920] [10.1021/acs.jafc.4c09764]