Basic information
- CAS
2390-22-9- Standard SMILES
CN1CCN(C(=O)CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1- InChIKey
SWDPECKACXBPCX-UHFFFAOYSA-N- Molecular formula
- C26H25Cl3N2O
- Average molar mass
- 487.8 g/mol
- Monoisotopic mass
- 486.103247
Names & identifiers
- Preferred name
- Hetolin
- IUPAC
- 3,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
- English name
- 1-methyl-4-[3,3,3-tris(4-chlorophenyl)propionyl]piperazine
- Molecular formula
- C26H25Cl3N2O
- Molecular weight
- 487.85
Names & synonyms
Hetolin2390-22-93,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one6JY8W7L5G41-METHYL-4-[3,3,3-TRIS(4-CHLOROPHENYL)PROPIONYL]PIPERAZINE1-Methyl-4-(3,3,3-tris(4-chlorophenyl)propionyl)piperazineEINECS 219-227-3UNII-6JY8W7L5G4HETOLIN [MI]orb1697004SCHEMBL2012029DTXSID70178604
Show more names
Hetolin (Boehringer, Mann.)1-Methyl-4-[3,3,3-tris(4-chlorophenyl)-1-oxopropyl]piperazine1-Propanone, 3,3,3-tris(4-chlorophenyl)-1-(4-methyl-1-piperazinyl)-1-methyl-4-(3,3,3-tris(p-chlorophenyl)propionyl)-piperazin monohydrochlorid1-(beta,beta,beta-tris(p-chlorophenyl)propionyl)-4-methylpiperazine hydrochlo1-methyl-4-(3,3,3-tris(p-chlorophenyl)propionyl)piperazine monohydrochloride dicroden
SWDPECKACXBPCX-UHFFFAOYSA-N1-methyl-4-[3,3,3-tris(4-chlorophenyl)propanyl]piperazineLZ 544LZ-544AKOS040752009NS00027506T32065Q27265024
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Melting point
- 213 · 213-215°
- Boiling point
- 620.8 · 620.8±55.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
- pka
- 6.76 · 6.76±0.10(Predicted)
- FDA UNII
- 6 JY8W7L5G4 · 6JY8W7L5G4
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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