Basic information
- CAS
66944-60-3- Standard SMILES
Cc1ccccc1C(=O)OCCN1CCN(CCOC(=O)c2ccccc2C)CC1.Cl.Cl- InChIKey
DUPIYHUBWZNJSK-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(o-methylbenzoate), dihydrochloride
- IUPAC
- 2-[4-[2-(2-methylbenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-methylbenzoate;dihydrochloride
Names & synonyms
ISS 505066944-60-3ETHANOL, 2,2'-(1,4-PIPERAZINYLENE)DI-, DI(o-METHYLBENZOATE), DIHYDROCHLORIDEDTXSID402171502,2'-(1,4-Piperazinylene)diethanol di(o-methylbenzoate) dihydrochlorideRefChem:340695DTXCID40139641(Piperazine-1,4-diyl)di(ethane-2,1-diyl) bis(2-methylbenzoate)--hydrogen chloride (1/2)
Database identifiers
- CAS
66944-60-3- PubChem CID
- 48602
- DTXSID
DTXSID40217150
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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