AC1MHP0S structure

AC1MHP0S

1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol diiodide

Also Known As: 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide|1-Piperazinepropanol, beta-benzyl-alpha-butyl-4-methyl-alpha-phenyl-, methiodide|beta-Benzyl-alpha-butyl-4-methyl-alpha-phenyl-1-piperazinepropanol methiodide|1-Propanol, 1-butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-, methiodide|Piperazinium, 1-(2-benzyl-3-hydroxy-3-phenylheptyl)-1,4,4-trimethyl-, diiodide|1-(2-Benzyl-3-hydroxy-3-phenylheptyl)-1,4,4-trimethylpiperazine-1,4-diium diiodide|1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol diiodide|Piperazinium, 1-[3-hydroxy-3-phenyl-2-(phenylmethyl)heptyl]-1,4,4-trimethyl-, diiodide

CAS: 72050-87-4
Molecular Formula C27H42I2N2O
Molecular Weight 664.1387 g/mol
LogP -1.5321
Topological Polar Surface Area 20.23 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
Rotatable Bonds 9
Exact Mass 664.1387
Monoisotopic Mass 664.1387
Heavy Atoms 32
Complexity 774.75806

Chemical Identifiers

CAS Number 72050-87-4
SMILES CCCCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O.[I-].[I-]

Product Overview

AC1MHP0S (CAS 72050-87-4), with molecular formula C27H42I2N2O and molecular weight 664.1387 g/mol. IUPAC: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol diiodide.

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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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