Basic information
- CAS
63990-55-6- Standard SMILES
CC(=O)OC(COc1ccccc1C(C)=O)CN1CCN(c2ccc(C)cc2C)CC1.Cl.Cl- InChIKey
GDGHUKIIRSLWAL-UHFFFAOYSA-N- Molecular formula
- C25H34Cl2N2O4
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 496.189563
Names & identifiers
- Preferred name
- Acetophenone, 2'-((2-hydroxy-3-(4-(4-o-xylyl)piperazinyl))propoxy)-, dihydrochloride, acetate
- IUPAC
- [1-(2-acetylphenoxy)-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propan-2-yl] acetate;dihydrochloride
Names & synonyms
Acetophenone, 2'-((2-hydroxy-3-(4-(4-o-xylyl)piperazinyl))propoxy)-, dihydrochloride, acetate63990-55-61-(o-Acetophenoxy)-2-acetoxy-3-(N(sup 4)-(3,4-dimethylphenyl)piperazinyl)propaneRefChem:316870DTXSID309817721-(2-Acetylphenoxy)-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propan-2-yl acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
63990-55-6- PubChem CID
- 46168
- DTXSID
DTXSID30981772
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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