3-N,N-Dimethylamino-1-(3,4-methylenedioxyphenyl)-1-propanone

3-N,N-Dimethylamino-1-(3,4-methylenedioxyphenyl)-1-propanone is a very minor dimethylamine metabolite of safrole produced in vivo after oral or topical use. ^[1] It's an adduct of 1'-oxosafrole and dimethylamine.

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Chemical Properties

Synonyms: Safrole I; 1'-oxosafrole-DMA; 1'-oxosafrole-dimethylamine; 1'-ketosafrole-DMA; 1'-keto-dimethylamine;
PubChem Compound ID: 121703
Molecular Weight: 221.2524 [g/mol]
Molecular Formula: C12H15NO3
XLogP3: 1.2
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one
InChI: InChI=1S/C12H15NO3/c1-13(2)6-5-10(14)9-3-4-11-12(7-9)16-8-15-11/h3-4,7H,5-6,8H2,1-2H3
InChIKey: PWBLOELLKGNDKI-UHFFFAOYSA-N
Canonical SMILES: CN(C)CCC(=O)C1=CC2=C(C=C1)OCO2

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See Also

• 1'-Oxosafrole
• 1'-Oxosafrole-PEA
• 1'-Oxosafrole-Piperidine
• 1'-Oxosafrole-Pyrrolidine
• 6,7-Methylenedioxy-DMT
• Nutmeg
• Oilahuasca Activation
• Dimethylamine
• Safrole
• Sassafras

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Bibliography

1. E.O. Oswald, L. Fishbein, B.J. Corbett, M.P. Walker. Identification of tertiary aminomethylenedioxy-propiophenones as urinary metabolites of safrole in the rat and guinea pig. Biochimica et Biophysica Acta (BBA) - General Subjects, Volume 230, Issue 2, 23 February 1971, Pages 237-247 (web link)