Atrazin-desethyl-2-hydroxy

Synonyms: Atrazin-desethyl-2-hydroxy, 2-chloro-4-isopropylamino-6-hydroxyamino-sym-triazine", "4-chloro-6-(hydroxyamino)-n-isopropyl-1,3,5-triazin-2-amine"

Source: Atrazin-desethyl-2-hydroxy is a metabolite of the herbicide atrazine.

Identifiers:

IUPAC Name: N-[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]hydroxylamine
CAS Number: 58175-60-3
PubChem ID: 71777649
InChiKey: MRKRYJVAVDUVLK-UHFFFAOYSA-N
Canonical SMILES: CC(C)NC1=NC(=NC(=N1)Cl)NO

Structural Properties:

Molecular Formula: C₆H₁₀ClN₅O
Molecular Weight: 203,630

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 6
Number of atoms different from hydrogen: 13

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Evidence Supporting This Chemical as an Emerging Contaminant

Terzi?, S., Senta, I., Ahel, M., Gros, M., Petrovi?, M., Barcelo, D., ... & Jovan?i?, P. (2008). Occurrence and fate of emerging wastewater contaminants in Western Balkan Region. Science of the total environment, 399(1-3), 66-77.

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