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Chemical structure of 2,3-Pentylone isomer (hydrochloride)

GC42070

2,3-Pentylone isomer (hydrochloride)

Also known as 1-(1,3-benzodioxol-4-yl)-2-(methylamino)pentan-1-one;hydrochloride

Pentylone is a synthetic cathinone that has been detected in party pills and powders

ChemicalCAS2749428-57-5MW271.7FormulaC13H17NO3•HCl
CAS number
2749428-57-5
Molecular weight
271.7
Formula
C13H17NO3•HCl
Solubility
PBS (pH 7·2)： 1 mg/ml
InChIKey
NAHQYOXMPVEVDR-UHFFFAOYSA-N
Catalogue number
GC42070
Brand
GLPBIO
Computed properties PubChem CID 132989247 · TPSA 47.6 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
47.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18

SMILES CCCC(C(=O)C1=C2C(=CC=C1)OCO2)NC.Cl

Computed descriptors from PubChem (CID 132989247), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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