Acetic acid, (2,4,5-trichlorophenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride
Basic information
- CAS
86746-12-5- Standard SMILES
Cl.Cl.O=C(COc1cc(Cl)c(Cl)cc1Cl)OCCCN1CCN(CCCOC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1- InChIKey
PZIYRAJEJLJHAP-UHFFFAOYSA-N- Molecular formula
- C26H30Cl8N2O6
- Average molar mass
- 750.1 g/mol
- Monoisotopic mass
- 745.961208
Names & identifiers
- Preferred name
- Acetic acid, (2,4,5-trichlorophenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride
- IUPAC
- 3-[4-[3-[2-(2,4,5-trichlorophenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,5-trichlorophenoxy)acetate;dihydrochloride
Names & synonyms
86746-12-5Acetic acid, (2,4,5-trichlorophenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochlorideDTXSID10235801(2,4,5-Trichlorophenoxy)acetic acid 1,4-piperazinediyldi-3,1-propanediyl ester 2HClRefChem:316113DTXCID00158292(Piperazine-1,4-diyl)di(propane-3,1-diyl) bis[(2,4,5-trichlorophenoxy)acetate]--hydrogen chloride (1/2)
Database identifiers
- CAS
86746-12-5- PubChem CID
- 55557
- DTXSID
DTXSID10235801
Properties
Computed structural properties
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 718
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…