2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine - ≥97% , CAS No.30530-43-9

CAS: 30530-43-9 Cat. No.: D169430 Peso molecular: 205.19 Número EC: 622-429-8

GRADE & PURITY ≥97%

Synonyms

30530-43-9|2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine|6-(3-fluorophenyl)-1,3,5-Triazine-2,4-diamine|SCHEMBL670606|CHEMBL139341|DTXSID20511481|MFCD06200694|AKOS015894735|FT-0692829|A18611|J-017998|2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine, 97%

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

30530-43-9 | 2, 4-Diamino-6-(3-fluorophenyl)-1, 3, 5-triazine | 6-(3-fluorophenyl)-1, 3, 5-Triazine-2, 4-diamine | SCHEMBL670606 | CHEMBL139341 | DTXSID20511481 | MFCD06200694 | AKOS015894735 | FT-0692829 | A18611 | J-017998 | 2, 4-Diamino-6-(3-fluorophenyl)-1, 3, 5-triazine, 97%

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488198272
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198272
• Sonrisas canónicas: C1=CC(=CC(=C1)F)C2=NC(=NC(=N2)N)N
• IUPAC Name: 6-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
• InChIKey: OHGKSRVADPIOLJ-UHFFFAOYSA-N
• INCHI: 1S/C9H8FN5/c10-6-3-1-2-5(4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
• Isómeros SMILES: C1=CC(=CC(=C1)F)C2=NC(=NC(=N2)N)N
• WGK Alemania: 3
• Peso molecular: 205.19
• Reaxy-Rn: 523111
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=523111&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: Fluorobenzenes Aryl fluorides 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Organonitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 205.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 205.076 Da
• Monoisotopic Mass: 205.076 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• 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