AC1MI5BR structure

AC1MI5BR

3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one;hydrochloride

Also Known As: 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride|1-(4-(4-Butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-1-propanone hydrochloride|3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one hydrochloride|3-(Azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one--hydrogen chloride (1/1)

CAS: 41771-59-9
Molecular Formula C25H42ClNO3
Molecular Weight 439.2853 g/mol
LogP 6.0953
Topological Polar Surface Area 38.77 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 14
Exact Mass 439.2853
Monoisotopic Mass 439.2853
Heavy Atoms 30
Complexity 585.75653

Chemical Identifiers

CAS Number 41771-59-9
SMILES CCCCOCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC.Cl

Product Overview

AC1MI5BR (CAS 41771-59-9), with molecular formula C25H42ClNO3 and molecular weight 439.2853 g/mol. IUPAC: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one;hydrochloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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