2,4-Diamino-6-methoxy-1,3,5-triazine - ≥98% , CAS No.2827-45-4

CAS: 2827-45-4 Cat. No.: D163012 Peso molecular: 141.13 Beilstein Registry Number: 26(3/4)1311 Número EC: 678-148-6

GRADE & PURITY ≥98%

Synonyms

1-Ethyl-3-propyl-1H-pyrazole-5-carboxylicacid | NSC 70448 | Q27118038 | s-Triazine, 2,4-diamino-6-methoxy- | D2232 | 2-methoxy-4,6-diamino-s-triazine | 5WWI848YA7 | SCHEMBL138352 | 1,5-Triazine-2,4-diamine, 6-methoxy- | BRN 0136629 | s-Triazine,6-diamino-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Ethyl-3-propyl-1H-pyrazole-5-carboxylicacid | NSC 70448 | Q27118038 | s-Triazine, 2, 4-diamino-6-methoxy- | D2232 | 2-methoxy-4, 6-diamino-s-triazine | 5WWI848YA7 | SCHEMBL138352 | 1, 5-Triazine-2, 4-diamine, 6-methoxy- | BRN 0136629 | s-Triazine, 6-diamino-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182413
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182413
• Sonrisas canónicas: COC1=NC(=NC(=N1)N)N
• IUPAC Name: 6-methoxy-1,3,5-triazine-2,4-diamine
• InChIKey: XVMFICQRQHBOOT-UHFFFAOYSA-N
• INCHI: 1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9)
• Isómeros SMILES: COC1=NC(=NC(=N1)N)N
• RTECS: XY6890000
• Peso molecular: 141.13
• Beilstein: 26(3/4)1311
• Reaxy-Rn: 136629
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136629&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: 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: 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: 141.130 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 141.065 Da
• Monoisotopic Mass: 141.065 Da
• Topological Polar Surface Area: 99.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.800
• 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

Referencias

1. Jiana Lin, Xiaoyan Ouyang, Yuling Hu, Gongke Li, Qisheng Zhong.  (2023)  Primary amide-functionalized cyclotricatechylene covalent organic frameworks membrane for efficient enrichment of melamine and its derivatives in migration solution of food contact materials.  JOURNAL OF SEPARATION SCIENCE,  46  (6): (202200862).  [PMID:36680331] [10.1002/jssc.202200862]