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Simazine solution - analytical standard,10μg/ml in acetone, high purity , CAS No.122-34-9(Acetone)
Basic Description
Synonyms
simazine | 122-34-9 | Gesatop | Princep | Simanex | Aquazine | Tafazine | Herbex | Radocon | Batazina | Herbazin | Symazine | Taphazine | Amizine | Bitemol | Gesapun | Herboxy | Printop | Radokor | Simadex | Zeapur | Herbazin 50 | Primatol S | Aktinit S | Hungazin DT | Gesaran | Premazine | Simazin | Simazine
Specifications & Purity
analytical standard, 10μg/ml in acetone
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
1,3,5-triazines
Intermediate Tree Nodes
Halo-S-triazines
Direct Parent
Chloro-s-triazines
Alternative Parents
Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chloro-s-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chloro-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a chlorine atom.
External Descriptors
s -triazine
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
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
INCHI
InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey
ODCWYMIRDDJXKW-UHFFFAOYSA-N
Smiles
CCNC1=NC(=NC(=N1)Cl)NCC
Isomeric SMILES
CCNC1=NC(=NC(=N1)Cl)NCC
WGK Germany
3
PubChem CID
5216
Molecular Weight
201.66
Beilstein
10895
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
212.0 °F
Flash Point(°C)
100 °C
Molecular Weight
201.660 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
201.078 Da
Monoisotopic Mass
201.078 Da
Topological Polar Surface Area
62.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
131.000
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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I1524102