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)
| 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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