4-(4，6-Dimethoxy-1，3，5-triazin-2-yl)morpholine - ≥97% , CAS No.241483-00-1

CAS: 241483-00-1 Cat. No.: M709026 Molecular Weight: 226.23 PubChem CID: 4092448

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=NC(=NC(=N1)N2CCOCC2)OC
• IUPAC Name: 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine
• InChIKey: FEDGCLDYLJUCNC-UHFFFAOYSA-N
• INCHI: 1S/C9H14N4O3/c1-14-8-10-7(11-9(12-8)15-2)13-3-5-16-6-4-13/h3-6H2,1-2H3
• Isomeric SMILES: COC1=NC(=NC(=N1)N2CCOCC2)OC
• PubChem CID: 4092448
• Molecular Weight: 226.23

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: Dialkylarylamines Aminotriazines Alkyl aryl ethers Morpholines Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-methoxy-1,3,5-triazine - Dialkylarylamine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Oxazinane - Morpholine - Heteroaromatic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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

• Molecular Weight: 226.230 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 226.107 Da
• Monoisotopic Mass: 226.107 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 201.000
• 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