Basic information
- CAS
946759-24-6- Standard SMILES
c1ccc(COc2ccc(OC3CCCNC3)cc2)cc1- InChIKey
MHFLLKCOCWRQHV-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- 3-[4-(Benzyloxy)phenoxy]piperidine
- IUPAC
- 3-(4-phenylmethoxyphenoxy)piperidine
- English name
- 3-[4-(BENZYLOXY)PHENOXY]PIPERIDINE
- Molecular formula
- C18H21NO2
- Molecular weight
- 283.36
Names & synonyms
3-[4-(Benzyloxy)phenoxy]piperidine946759-24-63-(4-phenylmethoxyphenoxy)piperidineC18H21NO24128AFDTXSID80663036AKOS010951141A1-355903-[4-(PHENYLMETHOXY)PHENOXY]PIPERIDINEPiperidine, 3-[4-(phenylmethoxy)phenoxy]-
Database identifiers
- CAS
946759-24-6- PubChem CID
- 45075412
- DTXSID
DTXSID80663036
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 435 · 435.0±40.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 9.25 · 9.25±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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