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Chemical structure of N-ethyl Hexylone (hydrochloride)

GC44368

N-ethyl Hexylone (hydrochloride)

Also known as 1-(1,3-benzodioxol-5-yl)-2-(ethylamino)hexan-1-one;hydrochloride

N-ethyl Hexylone (hydrochloride) is an analytical reference standard categorized as a cathinone

ChemicalCAS27912-41-0MW299.8FormulaC15H21NO3•HCl
CAS number
27912-41-0
Molecular weight
299.8
Formula
C15H21NO3•HCl
Solubility
DMF： 2·5 mg/ml,DMSO： 14 mg/ml,Ethanol： 0·25 mg/ml,PBS (pH 7·2)： 3 mg/ml
InChIKey
YQWLISQAEVANFT-UHFFFAOYSA-N
Catalogue number
GC44368
Brand
GLPBIO
Computed properties PubChem CID 137700398 · 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
7
Heavy atoms
20

SMILES CCCCC(C(=O)C1=CC2=C(C=C1)OCO2)NCC.Cl

Computed descriptors from PubChem (CID 137700398), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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