N2,N4-bis(4-chlorophenyl)-6-morpholino-1,3,5-triazine-2,4-diamine , CAS No.310457-39-7

CAS: 310457-39-7 Cat. No.: N965298 Peso molecular: 417.300

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)Cl
• IUPAC Name: 2-N,4-N-bis(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
• InChIKey: VIBVVDSRNNRIFK-UHFFFAOYSA-N
• INCHI: 1S/C19H18Cl2N6O/c20-13-1-5-15(6-2-13)22-17-24-18(23-16-7-3-14(21)4-8-16)26-19(25-17)27-9-11-28-12-10-27/h1-8H,9-12H2,(H2,22,23,24,25,26)
• Peso molecular: 417.300

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: Aniline and substituted anilines Chlorobenzenes Aminotriazines Morpholines Aryl chlorides 1,3,5-triazines Heteroaromatic compounds Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Triazine - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Ether - Secondary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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: 417.300 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 416.092 Da
• Monoisotopic Mass: 416.092 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 435.000
• 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