MDMA

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Systematic / IUPAC Name: 1-(1,3-Benzodioxol-5-yl)-N-methylpropan-2-amine

ID: Reference2261

Other Names: Ecstasy;
XTC;
[1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl](methyl)amine;
N,α-Dimethyl-1,3-benzodioxole-5-ethanamine;
N-Methyl-3,4-methylenedioxyamphetamine ; more

Formula: C11H15NO2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

MDMA mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 288
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/26/2017 7:50:27 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
InChI Key SHXWCVYOXRDMCX-UHFFFAOYSA-N
Canonical SMILES CC(CC1=CC2=C(C=C1)OCO2)NC
CAS 42542109
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Other Names Ecstasy;
XTC;
[1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl](methyl)amine;
N,α-Dimethyl-1,3-benzodioxole-5-ethanamine;
N-Methyl-3,4-methylenedioxyamphetamine;
1-(1,3-Benzodioxol-5-yl)-N-methyl-2-propanamine;
1,3-Benzodioxole-5-ethanamine, N,α-dimethyl-;
3,4-Methylenedioxy-N,α-dimethyl-β-phenylethylamine;
3,4-Methylenedioxymethamphetamine;
Methylenedioxymethamphetamine;
Phenethylamine, N,α-dimethyl-3,4-methylenedioxy-;
3,4-MDMA

In Other Databases

DrugBank DB01454
KEGG C07577
ChEBI CHEBI:1391
ChEMBL CHEMBL43048
Wikipedia MDMA
ChemIDPlus 042542109; 069610102
ChemSpider 1556
PubChem 1615