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Methylone-d3 Hydrochloride

CAT: 0572-TRC-M303962-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M303962-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246820-21-2
Synonyms
Methylone-D3 Hydrochloride; Methylone-(N-methyl-D3) Hydrochloride; 1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(methyl-d3-amino)-, hydrochloride (1:1); 1-(1,3-Benzodioxol-5-yl)-2-(methyl-d3-amino)-1-propanone hydrochloride (1:1)
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
Cl.[2H]C([2H])([2H])NC(C)C(=O)c1ccc2OCOc2c1
Molecular Formula
C11 2H3 H10 N O3 . Cl H
Molecular Weight
246.71
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/i2D3;
Additionnal Information
IUPAC name: 1-(1,3-benzodioxol-5-yl)-2-(trideuteriomethylamino)propan-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methylone-d3 Hydrochloride
CAS Number1246820-21-2
PubChem CID71750303
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(trideuteriomethylamino)propan-1-one;hydrochloride
Molecular FormulaC11H14ClNO3
Molecular Weight246.70
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity244
SMILES
[2H]C([2H])([2H])NC(C)C(=O)C1=CC2=C(C=C1)OCO2.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/i2D3;
InChIKey
GASYWEXOTOXXLK-MUTAZJQDSA-N
Chemical Structure
2D Structure
2D structure of Methylone-d3 Hydrochloride
CAS: 1246820-21-2
CID: 71750303
Formula: C11H14ClNO3
MW: 246.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass246.0850512
Monoisotopic Mass246.0850512
Topological Polar Surface Area47.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity244
Isotope Atom Count3
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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Alternative Products

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456114-01Methylone-d3 Hydrochloride discontinued
WZB82053-01N-Demethyl methylone-d3 hydrochloride
458685-01N-Demethyl Methylone-d3 Hydrochloride discontinued
456112-01Methylone Hydrochloride discontinued
456115Methylone-d3 Hydrochloride (100 μg/mL in Methanol) discontinued
GTR19252926-015-methoxy Methylone hydrochloride
HY-W741165-01N-Demethyl methylone (hydrochloride)
FD21005N-Demethyl methylone hydrochloride
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