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Chemical structure of MBDB (hydrochloride)

GC18907

MBDB (hydrochloride)

Also known as 1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine;hydrochloride

MBDB is an analog of methylenedioxymethamphetamine (MDMA), differing only by the substitution of an ethyl for methyl group at the a-carbon

ChemicalCAS128767-12-4MW243.7FormulaC12H17NO2·HCl
CAS number
128767-12-4
Molecular weight
243.7
Formula
C12H17NO2·HCl
Solubility
DMF： 10 mg/ml,DMSO： 10 mg/ml,Ethanol： 16 mg/ml,PBS (pH 7·2)： 5 mg/ml
InChIKey
LFXXIXAVEJVYGY-UHFFFAOYSA-N
Catalogue number
GC18907
Brand
GLPBIO
Computed properties PubChem CID 14545215 · TPSA 30.5 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
30.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

SMILES CCC(CC1=CC2=C(C=C1)OCO2)NC.Cl

Computed descriptors from PubChem (CID 14545215), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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