Basic information
- CAS
81262-70-6- Standard SMILES
CN[C@H](C)Cc1ccc2c(c1)OCO2- InChIKey
SHXWCVYOXRDMCX-MRVPVSSYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- (-)-Methylenedioxymethamphetamine
- IUPAC
- (2R)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
- English name
- (R)-MDMA
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.25
Names & synonyms
81262-70-6(-)-MethylenedioxymethamphetamineRefChem:203754(R)-Mdma1,3-Benzodioxole-5-ethanamine, N,alpha-dimethyl-, (alphaR)-(2R)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine(R)-(?)-3,4-MDMA (hydrochloride)Ecstasy, (R)-Midomafetamine, (R)-Mandy, (R)-Molly, (R)-Mdma, (R)-
Show more names
R-(-)-MDMA(R)-N,α-Dimethyl-1,3-benzodioxole-5-ethanamine1,3-Benzodioxole-5-ethanamine, N,α-dimethyl-, (αR)-(R)-N,α-Dimethyl-3,4-(methylenedioxy)benzeneethanamine
SCHEMBL896602CHEMBL382757SCHEMBL30064471BDBM86234DTXSID001300380PDSP1_001408PDSP2_0013923947754WXW
Database identifiers
- CAS
81262-70-6- PubChem CID
- 667458
- DTXSID
DTXSID001300380- ChEMBL
CHEMBL382757- UNII
- 3947754WXW
- Nikkaji
- J259.865E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 283.4 · 283.4±9.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 10.32 · 10.32±0.10(Predicted)
- FDA UNII
- 3947754 WXW · 3947754WXW
Chemistry & industry
Pharmacology
Metabolism/Metabolites(R)-3,4-Methylenedioxymethamphetamine has known human metabolites that include N-Methyl-3,4- dihydroxyamphetamine and 3,4-Methylenedioxymethamphetamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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