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Methylone Hydrochloride

CAT: 0572-TRC-M303960-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M303960-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
186028-80-8
Synonyms
Methylone Hydrochloride; 1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(methylamino)-, hydrochloride (1:1); 1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(methylamino)-, hydrochloride (9CI); Methylone hydrochloride; 3,4-Methylenedioxymethcathinone HCl
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.CNC(C)C(=O)c1ccc2OCOc2c1
Molecular Formula
C11 H13 N O3 . Cl H
Molecular Weight
243.69
InChI
InChI=1S/C11H13NO3.ClH/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9;/h3-5,7,12H,6H2,1-2H3;1H
Additionnal Information
IUPAC name: 1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methylone hydrochloride
CAS Number186028-80-8
PubChem CID46738160
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one;hydrochloride
Molecular FormulaC11H14ClNO3
Molecular Weight243.68
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity244
SMILES
CC(C(=O)C1=CC2=C(C=C1)OCO2)NC.Cl
InChI
InChI=1S/C11H13NO3.ClH/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9;/h3-5,7,12H,6H2,1-2H3;1H
InChIKey
GASYWEXOTOXXLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylone hydrochloride
CAS: 186028-80-8
CID: 46738160
Formula: C11H14ClNO3
MW: 243.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass243.0662210
Monoisotopic Mass243.0662210
Topological Polar Surface Area47.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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