N,N-diethyltoluamide

Synonyms: "N,N-Diethyl-2-methylbenzamide", "N,N-diethyltoluamide", "o-DETA", "N,N-Diethyl-o-toluamide", "o-Toluamide, N,N-diethyl-", "2-Methyl-N,N-diethylbenzamide", "N,N-Diethyl-2-methyl-benzamide", "o-DEET", "N,N-diethyl(2-methylphenyl)carboxamide", "26545-51-7", "BRN 2257532", "AI3-20217", "Toluic acid diethylamide", "N,N-Diethylmethylbenzamide"

Source: N,N-diethyltoluamide is one of the most common active ingredient in insect repellents.

Identifiers:

IUPAC Name: N,N-diethyl-2-methylbenzamide
CAS Number: 03/04/2728
PubChem ID: 75945
InChiKey: KUYQDJOFVBGZID-UHFFFAOYSA-N
Canonical SMILES: CCN(CC)C(=O)C1=CC=CC=C1C

Structural Properties:

Molecular Formula: C₁₂H₁₇NO
Molecular Weight: 191.27

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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Evidence Supporting This Chemical as an Emerging Contaminant

La Farre, M., P?rez, S., Kantiani, L., & Barcel?, D. (2008). Fate and toxicity of emerging pollutants, their metabolites and transformation products in the aquatic environment. TrAC Trends in Analytical Chemistry, 27(11), 991-1007.

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