N2，N4-Diethyl-6-methoxy-1，3，5-triazine-2，4-diamine - ≥97% , CAS No.673-04-1

CAS: 673-04-1 Cat. No.: N693515 Peso molecular: 197.24 Número EC: 211-601-4 PubChem CID: 12654

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCNC1=NC(=NC(=N1)OC)NCC
• IUPAC Name: 2-N,4-N-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
• InChIKey: HKAMKLBXTLTVCN-UHFFFAOYSA-N
• INCHI: 1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
• Isómeros SMILES: CCNC1=NC(=NC(=N1)OC)NCC
• CAS alternativo: 673-04-1
• PubChem CID: 12654
• Número NSC: 163050
• Términos de entrada MeSH: 2-methoxy-4-ethylamino-6-ethylamino-1,3,5-triazine;simeton
• Peso molecular: 197.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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: diamino-1,3,5-triazine - methoxy-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

Propiedades químicas y físicas

• Peso molecular: 197.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 197.128 Da
• Monoisotopic Mass: 197.128 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 143.000
• 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