3-(3,4-Dimethylphenoxy)piperidine
Basic information
- CAS
946725-92-4- Standard SMILES
Cc1ccc(OC2CCCNC2)cc1C- InChIKey
ZOAYYILFLICKSD-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 3-(3,4-Dimethylphenoxy)piperidine
- IUPAC
- 3-(3,4-dimethylphenoxy)piperidine
- English name
- 3-(3,4-Dimethylphenoxy)piperidine
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
3-(3,4-Dimethylphenoxy)piperidine946725-92-44088AFDTXSID40663032AKOS010951138EN300-1847547Piperidine, 3-(3,4-dimethylphenoxy)-
Database identifiers
- CAS
946725-92-4- PubChem CID
- 45075407
- DTXSID
DTXSID40663032
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 326 · 326.0±42.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- pka
- 9.24 · 9.24±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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