2-Hydroxyatrazine

Synonyms: Hydroxyatrazine, "2-Hydroxyatrazine", "Atrazine-2-hydroxy", "hydroxydechloroatrazine", "Hydroxy Atrazine", "4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine", "4-(ethylamino)-6-(isopropylamino)-s-triazin-2-ol", "4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-ol", "4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol", "2-hydroxy-4-(ethylamino)-6-(isopropylamino)-s-triazine", "2-Hydroxy-4-ethylamino-6-isopropylamino-s-triazine"

Source: 2-Hydroxyatrazine is a derivative of the herbicide atrazine.

Identifiers:

IUPAC Name: 4-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
CAS Number: 2163-68-0
PubChem ID: 135398733
InChiKey: NFMIMWNQWAWNDW-UHFFFAOYSA-N
Canonical SMILES: CCNC1=NC(=O)NC(=N1)NC(C)C

Structural Properties:

Molecular Formula: C₈H₁₅N₅O
Molecular Weight: 197,240

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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Evidence Supporting This Chemical as an Emerging Contaminant

Peng, Y., Fang, W., Krauss, M., Brack, W., Wang, Z., Li, F., & Zhang, X. (2018). Screening hundreds of emerging organic pollutants (EOPs) in surface water from the Yangtze River Delta (YRD): occurrence, distribution, ecological risk. Environmental pollution, 241, 484-493.

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