3,4-Methylenedioxymethamphetamine

Synonyms: MDMA, "3,4-methylenedioxymethamphetamine", "Ecstasy", "Methylenedioxymethamphetamine", "DL-(3,4-Methylenedioxy)methamphetamine", "(RS)-3,4-(methylenedioxy)methamphetamine", "Midomafetamine", "N,alpha-Dimethyl-1,3-benzodioxole-5-ethanamine", "HSDB 6929", "1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine", "(+-)-(3,4-Methylenedioxy)methamphetamine", "(+-)-N-Methyl-3,4-(methylenedioxy)amphetamine".

Source: 3,4-Methylenedioxymethamphetamine (MDMA, ecstasy) is a psychoactive drug.

Identifiers:

IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CAS Number: 42542-10-9
PubChem ID: 1615
InChiKey: SHXWCVYOXRDMCX-UHFFFAOYSA-N
Canonical SMILES: CC(CC1=CC2=C(C=C1)OCO2)NC

Structural Properties:

Molecular Formula: C₁₁H₁₅NO₂
Molecular Weight: 193.24

Pharmacophore Features:

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

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Evidence Supporting This Chemical as an Emerging Contaminant

Liu, Y., Blowes, D. W., Ptacek, C. J., & Groza, L. G. (2019). Removal of pharmaceutical compounds, artificial sweeteners, and perfluoroalkyl substances from water using a passive treatment system containing zero-valent iron and biochar.?Science of The Total Environment,?691, 165-177.

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