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

2-[4-[2-[2-(2,4,6-trimethylphenoxy)acetyl]oxyethyl]piperazin-1-yl]ethyl 2-(2,4,6-trimethylphenoxy)acetate;dihydrochloride

CAS: 86746-11-4

Molecular Formula	`C30H44Cl2N2O6`
Molecular Weight	599.6 g/mol
Topological Polar Surface Area	77.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	14
Exact Mass	598.2576
Heavy Atoms	40
Complexity	644.0

Chemical Identifiers

CAS Number	86746-11-4
SMILES	`CC1=CC(=C(C(=C1)C)OCC(=O)OCCN2CCN(CC2)CCOC(=O)COC3=C(C=C(C=C3C)C)C)C.Cl.Cl`
InChIKey	`HPEMGOSOZGNOKU-UHFFFAOYSA-N`

📖 Product Overview

Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester, dihydrochloride (CAS: 86746-11-4) is a chemical compound with molecular formula C30H44Cl2N2O6 and molecular weight 599.6 g/mol. Its IUPAC systematic name is 2-[4-[2-[2-(2,4,6-trimethylphenoxy)acetyl]oxyethyl]piperazin-1-yl]ethyl 2-(2,4,6-trimethylphenoxy)acetate;dihydrochloride. Topological Polar Surface Area 77.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 14 Exact Mass 598.2576 Heavy Atoms 40 Complexity 644.0 InChI Key: HPEMGOSOZGNOKU-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C(=C1)C)OCC(=O)OCCN2CCN(CC2)CCOC(=O)COC3=C(C=C(C=C3C)C)C)C.Cl.Cl.

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