Basic information
- CAS
946759-28-0- Standard SMILES
O=C(c1ccc(Cl)cc1)c1ccc(OC2CCCNC2)cc1- InChIKey
WGTGNCXIULQFAZ-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO2
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1026065
Names & identifiers
- Preferred name
- (4-Chlorophenyl)[4-(3-piperidinyloxy)phenyl]-methanone
- IUPAC
- (4-chlorophenyl)-(4-piperidin-3-yloxyphenyl)methanone
- English name
- (4-Chlorophenyl)[4-(3-piperidinyloxy)phenyl]-methanone
- Molecular formula
- C18H18ClNO2
- Molecular weight
- 315.79
Names & synonyms
(4-Chlorophenyl)[4-(3-piperidinyloxy)phenyl]-methanone946759-28-0(4-chlorophenyl)-(4-piperidin-3-yloxyphenyl)methanoneMethanone, (4-chlorophenyl)[4-(3-piperidinyloxy)phenyl]-DTXSID201202821AKOS015850246(4-Chlorophenyl){4-[(piperidin-3-yl)oxy]phenyl}methanone
Database identifiers
- CAS
946759-28-0- PubChem CID
- 45075415
- DTXSID
DTXSID201202821
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 475.5 · 475.5±45.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 8.98 · 8.98±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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