Basic information
- CAS
66944-70-5- Standard SMILES
Cc1cccc(C(=O)OCCN2CCN(CCOC(=O)c3cccc(C)c3)CC2)c1.Cl.Cl- InChIKey
FSYTVXUWBNGHOF-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(m-methylbenzoate), dihydrochloride
- IUPAC
- 2-[4-[2-(3-methylbenzoyl)oxyethyl]piperazin-1-yl]ethyl 3-methylbenzoate;dihydrochloride
Names & synonyms
ISS 505166944-70-5ETHANOL, 2,2'-(1,4-PIPERAZINYLENE)DI-, DI(m-METHYLBENZOATE), DIHYDROCHLORIDEDTXSID002171562,2'-(1,4-Piperazinylene)diethanol di(m-methylbenzoate) dihydrochlorideRefChem:340694DTXCID00139647(Piperazine-1,4-diyl)di(ethane-2,1-diyl) bis(3-methylbenzoate)--hydrogen chloride (1/2)
Database identifiers
- CAS
66944-70-5- PubChem CID
- 48614
- DTXSID
DTXSID00217156
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
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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