Deisopropylatrazine

Synonyms: Deisopropylatrazine, "Atrazine-desisopropyl", "6-Deisopropylatrazine", "deethylsimazine", "Desethylsimazine", "desisopropylatrazine", "Desisopropyl Atrazine", "2-Chloro-4-amino-6-ethylamino-s-triazine", "2-Amino-4-chloro-6-ethylamino-s-triazine", "Atrazin-desisopropyl", "6-Chloro-N-ethyl-1,3,5-triazine-2,4-diamine", "6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine"

Source: atrazine-desisopropyl is a degradation product of the herbicide atrazine.

Identifiers:

IUPAC Name: 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
CAS Number: 1007-28-9
PubChem ID: 13878
InChiKey: IVENSCMCQBJAKW-UHFFFAOYSA-N
Canonical SMILES: CCNC1=NC(=NC(=N1)N)Cl

Structural Properties:

Molecular Formula: C₅H₈ClN₅
Molecular Weight: 173,600

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 11

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Evidence Supporting This Chemical as an Emerging Contaminant

Meffe, R., & de Bustamante, I. (2014). Emerging organic contaminants in surface water and groundwater: a first overview of the situation in Italy. Science of the Total Environment, 481, 280-295.

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