terbuthylazine

Synonyms: N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine, "terbutylazine", "gardoprim", "terbutylethylazine", "terbutazine", "Primatol M", "Sorgoprim", "Gardeprim A 1862", "Primatol-M80".

Source: Terbuthylazine is a triazine selective systemic herbicide.

Identifiers:

IUPAC Name: 2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CAS Number: 5915-41-3
PubChem ID: 22206
InChiKey: FZXISNSWEXTPMF-UHFFFAOYSA-N
Canonical SMILES: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C

Structural Properties:

Molecular Formula: C₉H₁₆ClN₅
Molecular Weight: 229.71

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 15

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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2D-structure

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