4,6-Dimethoxy-1,3,5-triazin-2(1H)-one - ≥95% , CAS No.1075-59-8

CAS: 1075-59-8 Cat. No.: D586322 Peso molecular: 157.13 Número EC: 810-583-0

GRADE & PURITY ≥95%

Synonyms

SCHEMBL20201817 | AKOS015902606 | SCHEMBL329816 | 4,6-Dimethoxy-1,3,5-triazin-2(5H)-one | FT-0748123 | DTXSID90274536 | MFCD02932731 | 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one | SB73227 | 4,6-dimethoxy-1H-1,3,5-triazin-2-one | 2,4-dimethoxy-6-hydroxy-1,3,5-t

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL20201817 | AKOS015902606 | SCHEMBL329816 | 4, 6-Dimethoxy-1, 3, 5-triazin-2(5H)-one | FT-0748123 | DTXSID90274536 | MFCD02932731 | 4, 6-Dimethoxy-1, 3, 5-triazin-2(1H)-one | SB73227 | 4, 6-dimethoxy-1H-1, 3, 5-triazin-2-one | 2, 4-dimethoxy-6-hydroxy-1, 3, 5-t

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504752525
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752525
• Sonrisas canónicas: COC1=NC(=NC(=O)N1)OC
• IUPAC Name: 4,6-dimethoxy-1H-1,3,5-triazin-2-one
• InChIKey: ABWQLBWYPYHBHW-UHFFFAOYSA-N
• INCHI: 1S/C5H7N3O3/c1-10-4-6-3(9)7-5(8-4)11-2/h1-2H3,(H,6,7,8,9)
• Isómeros SMILES: COC1=NC(=NC(=O)N1)OC
• Peso molecular: 157.13
• Reaxy-Rn: 149007
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=149007&ln=

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: Triazinones Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-methoxy-1,3,5-triazine - Triazinone - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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: 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

Propiedades químicas y físicas

• Peso molecular: 157.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 157.049 Da
• Monoisotopic Mass: 157.049 Da
• Topological Polar Surface Area: 72.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 233.000
• 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