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2，4，6-tris(benzyloxy)-1，3，5-triazine - ≥95%, high purity , CAS No.7285-83-8
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
1,3,5-triazines
Intermediate Tree Nodes
Not available
Direct Parent
Alkoxy-S-triazines
Alternative Parents
Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkoxy-s-triazine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkoxy-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with an alkoxy 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.
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
2,4,6-tris(phenylmethoxy)-1,3,5-triazine
INCHI
InChI=1S/C24H21N3O3/c1-4-10-19(11-5-1)16-28-22-25-23(29-17-20-12-6-2-7-13-20)27-24(26-22)30-18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
QNWCYDNXMANIFZ-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)COC2=NC(=NC(=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
Isomeric SMILES
C1=CC=C(C=C1)COC2=NC(=NC(=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
PubChem CID
225257
Molecular Weight
399.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
399.400 g/mol
XLogP3
5.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
9
Exact Mass
399.158 Da
Monoisotopic Mass
399.158 Da
Topological Polar Surface Area
66.400 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
384.000
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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