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Chemical structure of N,N-Diethylpentylone (hydrochloride)

GC44277

N,N-Diethylpentylone (hydrochloride)

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

N,N-Diethylpentylone (hydrochloride) is an analytical reference standard that is structurally classified as a cathinone

ChemicalCAS17763-15-4MW313.8FormulaC16H23NO3•HCl
CAS number
17763-15-4
Molecular weight
313.8
Formula
C16H23NO3•HCl
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 20 mg/ml,PBS (pH 7·2)： 1 mg/ml
InChIKey
QIMFWZHGOUCRRT-UHFFFAOYSA-N
Catalogue number
GC44277
Brand
GLPBIO
Computed properties PubChem CID 132989249 · TPSA 38.8 Ų · H-bond donors 1 · H-bond acceptors 4
TPSA
38.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
21

SMILES CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N(CC)CC.Cl

Computed descriptors from PubChem (CID 132989249), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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