2-Amino-4-methoxy-6-methyl-1,3,5-triazine - ≥98% , CAS No.1668-54-8

CAS: 1668-54-8 Cat. No.: A114509 Molecular Weight: 140.14 Beilstein Registry Number: 26(5)9,404 EC Number: 216-790-7

GRADE & PURITY ≥98%

Synonyms

AE F059411 | Triazine amine (IN-A4098) | 2-Amino-4-methoxy-6-methyl-1,3,5-triazine | 2-amino-4-methoxy-6methyl-1,3,5-triazine | 2-amino-4-methoxy6-methyl-1,3,5-triazine | 4-Methoxy-6-methyl-1,3,5-triazin-2-amine # | 1,3,5-Triazine, 2-amino-4-methoxy-6-met

Storage

Room temperature

Shipped In

Normal

Overview

Product Description：
2-Amino-4-methoxy-6-methyl-1,3,5-triazine is formed during the photocatalytic decomposition of sulfonylurea (Sus) herbicide. It is also formed as a thermal decomposition product of chlorsulfuron (a sulfonylurea herbicide) and has been determined by GC using nitrogen-phosphorus detection (NPD).

Product Application：

2-Amino-4-methoxy-6-methyl-1,3,5-triazine may be used in the synthesis of thifensulfuron.

Specifications

Synonyms

AE F059411 | Triazine amine (IN-A4098) | 2-Amino-4-methoxy-6-methyl-1, 3, 5-triazine | 2-amino-4-methoxy-6methyl-1, 3, 5-triazine | 2-amino-4-methoxy6-methyl-1, 3, 5-triazine | 4-Methoxy-6-methyl-1, 3, 5-triazin-2-amine # | 1, 3, 5-Triazine, 2-amino-4-methoxy-6-met

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752671
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752671
• Canonical Smiles: CC1=NC(=NC(=N1)OC)N
• IUPAC Name: 4-methoxy-6-methyl-1,3,5-triazin-2-amine
• InChIKey: NXFQWRWXEYTOTK-UHFFFAOYSA-N
• INCHI: 1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
• Isomeric SMILES: CC1=NC(=NC(=N1)OC)N
• WGK Germany: 1
• RTECS: XY3193000
• Molecular Weight: 140.14
• Beilstein: 26(5)9,404
• Reaxy-Rn: 608250
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608250&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: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-methoxy-1,3,5-triazine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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: aromatic ether - monoamino-1,3,5-triazine

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): 258-261°C
• Molecular Weight: 140.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 140.07 Da
• Monoisotopic Mass: 140.07 Da
• Topological Polar Surface Area: 73.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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