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Trietazine - analytical standard, high purity , CAS No.1912-26-1
Basic Description
Synonyms
TRIETAZINE | 1912-26-1 | Gesafloc | Triethazine | Aventox | Bronox | Remtal | 2-Ethylamino-4-diethylamino-6-chlortriazine | NSC 13908 | s-Triazine, 2-chloro-4-(diethylamino)-6-(ethylamino)- | 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N,N'-triethyl- | 6-Chloro-N2,N2,N4-triethyl-1,
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
Aminotriazines
Intermediate Tree Nodes
Not available
Direct Parent
1,3,5-triazine-2,4-diamines
Alternative Parents
Dialkylarylamines Secondary alkylarylamines N-aliphatic s-triazines Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - Dialkylarylamine - Chloro-s-triazine - Halo-s-triazine - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
External Descriptors
Triazine herbicides
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.
Names and Identifiers
IUPAC Name
6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
INCHI
InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKey
HFBWPRKWDIRYNX-UHFFFAOYSA-N
Smiles
CCNC1=NC(=NC(=N1)Cl)N(CC)CC
Isomeric SMILES
CCNC1=NC(=NC(=N1)Cl)N(CC)CC
WGK Germany
3
RTECS
XY5425000
PubChem CID
15951
UN Number
3077
Molecular Weight
229.71
Beilstein
16028
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
229.710 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
229.109 Da
Monoisotopic Mass
229.109 Da
Topological Polar Surface Area
53.900 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
176.000
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
Citations of This Product
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1 Citations
F2220337