Basic information
- CAS
66944-71-6- Standard SMILES
Cc1ccc(C(=O)OCCN2CCN(CCOC(=O)c3ccc(C)cc3)CC2)cc1.Cl.Cl- InChIKey
QFAUDLHTZCVTNK-UHFFFAOYSA-N- Molecular formula
- C24H32Cl2N2O4
- Average molar mass
- 483.4 g/mol
- Monoisotopic mass
- 482.1739129
Names & identifiers
- Preferred name
- Ethanol, 2,2'-(1,4-piperazinylene)di-, di(p-methylbenzoate), dihydrochloride
- IUPAC
- 2-[4-[2-(4-methylbenzoyl)oxyethyl]piperazin-1-yl]ethyl 4-methylbenzoate;dihydrochloride
Names & synonyms
ISS 505266944-71-6ETHANOL, 2,2'-(1,4-PIPERAZINYLENE)DI-, DI(p-METHYLBENZOATE), DIHYDROCHLORIDEDTXSID602171572,2'-(1,4-Piperazinylene)diethanol di(p-methylbenzoate) dihydrochlorideRefChem:340696DTXCID60139648(Piperazine-1,4-diyl)di(ethane-2,1-diyl) bis(4-methylbenzoate)--hydrogen chloride (1/2)
Database identifiers
- CAS
66944-71-6- PubChem CID
- 48616
- DTXSID
DTXSID60217157
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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