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4，6-dichloro-N，N-diphenyl-1，3，5-triazin-2-amine - ≥95%, high purity , CAS No.16033-74-2
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
Chloro-s-triazines Aminotriazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Aryl chloride - Aryl halide - Triazine - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4,6-dichloro-N,N-diphenyl-1,3,5-triazin-2-amine
INCHI
InChI=1S/C15H10Cl2N4/c16-13-18-14(17)20-15(19-13)21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
UIKAQTBBQJSDQE-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=NC(=N3)Cl)Cl
Isomeric SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=NC(=N3)Cl)Cl
PubChem CID
27647
Molecular Weight
317.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
317.200 g/mol
XLogP3
5.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
316.028 Da
Monoisotopic Mass
316.028 Da
Topological Polar Surface Area
41.900 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
291.000
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
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