(6-Chloro-2-trifluoromethylpyrimidin-4-yl)dimethyl-amine - ≥95% , CAS No.866648-53-5

CAS: 866648-53-5 Cat. No.: C187254 Peso molecular: 225.6 Número EC: 869-028-6

GRADE & PURITY ≥95%

Synonyms

RCRUAWWNTTTYOS-UHFFFAOYSA-N | MFCD09743687 | (6-chloro-2-trifluoromethyl pyrimidin-4-yl)dimethylamine | FT-0724671 | AKOS015850262 | SB58582 | DS-0199 | EN300-3568745 | SCHEMBL1672026 | (6-Chloro-2-trifluoromethylpyrimidin-4-yl)dimethyl-amine | 6-chloro-N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

RCRUAWWNTTTYOS-UHFFFAOYSA-N | MFCD09743687 | (6-chloro-2-trifluoromethyl pyrimidin-4-yl)dimethylamine | FT-0724671 | AKOS015850262 | SB58582 | DS-0199 | EN300-3568745 | SCHEMBL1672026 | (6-Chloro-2-trifluoromethylpyrimidin-4-yl)dimethyl-amine | 6-chloro-N

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN(C)C1=CC(=NC(=N1)C(F)(F)F)Cl
• IUPAC Name: 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
• InChIKey: RCRUAWWNTTTYOS-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClF3N3/c1-14(2)5-3-4(8)12-6(13-5)7(9,10)11/h3H,1-2H3
• Isómeros SMILES: CN(C)C1=CC(=NC(=N1)C(F)(F)F)Cl
• Peso molecular: 225.6
• Reaxy-Rn: 14477757
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14477757&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Halopyrimidines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organofluoride - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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: 225.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.028 Da
• Monoisotopic Mass: 225.028 Da
• Topological Polar Surface Area: 29.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 197.000
• 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