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CHEBI:83522 - terbutylazine-desethyl

ChEBI IDCHEBI:83522
ChEBI Nameterbutylazine-desethyl
Stars
DefinitionA diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a tert-butyl group at the amino nitrogen and a chloro group at position 6. It is metabolite of the herbicide terbutylazine.
Last Modified18 November 2014
DownloadsMolfile
FormulaC7H12ClN5
Net Charge0
Average Mass201.661
Monoisotopic Mass201.07812
SMILESCC(C)(C)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
InChIKeyLMKQNTMFZLAJDV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
terbutylazine-desethyl (CHEBI:83522) has role marine xenobiotic metabolite (CHEBI:83399)
terbutylazine-desethyl (CHEBI:83522) is a chloro-1,3,5-triazine (CHEBI:38168)
terbutylazine-desethyl (CHEBI:83522) is a diamino-1,3,5-triazine (CHEBI:38170)
IUPAC Name 
N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
Synonyms  Source
desethylterbuthylazineChemIDplus
6-chloro-N-(1,1-dimethylethyl)-1,3,5-triazine-2,4-diamineChemIDplus
Registry NumbersSources
Reaxys:514392Reaxys
CAS:30125-63-4ChemIDplus
Citations