Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride

3-[4-[3-[2-(2,4,6-trimethylphenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,6-trimethylphenoxy)acetate;dihydrochloride

CAS: 86746-13-6

Molecular Formula	`C32H48Cl2N2O6`
Molecular Weight	627.6 g/mol
Topological Polar Surface Area	77.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	16
Exact Mass	626.28894
Heavy Atoms	42
Complexity	672.0

Chemical Identifiers

CAS Number	86746-13-6
SMILES	`CC1=CC(=C(C(=C1)C)OCC(=O)OCCCN2CCN(CC2)CCCOC(=O)COC3=C(C=C(C=C3C)C)C)C.Cl.Cl`
InChIKey	`BQIKGQWRHBERMN-UHFFFAOYSA-N`

📖 Product Overview

Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride (CAS: 86746-13-6) is a chemical compound with molecular formula C32H48Cl2N2O6 and molecular weight 627.6 g/mol. Its IUPAC systematic name is 3-[4-[3-[2-(2,4,6-trimethylphenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,6-trimethylphenoxy)acetate;dihydrochloride. Topological Polar Surface Area 77.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 16 Exact Mass 626.28894 Heavy Atoms 42 Complexity 672.0 InChI Key: BQIKGQWRHBERMN-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C(=C1)C)OCC(=O)OCCCN2CCN(CC2)CCCOC(=O)COC3=C(C=C(C=C3C)C)C)C.Cl.Cl.

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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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