Basic information
- CAS
946759-21-3- Standard SMILES
CCc1cccc(OC2CCCNC2)c1- InChIKey
DTVCYKZPVACUPA-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 3-(3-Ethylphenoxy)piperidine
- IUPAC
- 3-(3-ethylphenoxy)piperidine
- English name
- 3-(3-Ethylphenoxy)piperidine
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
3-(3-ETHYLPHENOXY)PIPERIDINE946759-21-3SCHEMBL18617332DTXSID60663034AKOS005264026EN300-1859709Piperidine, 3-(3-ethylphenoxy)-
Database identifiers
- CAS
946759-21-3- PubChem CID
- 45075409
- DTXSID
DTXSID60663034
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 314.7 · 314.7±35.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- 9.23 · 9.23±0.10(Predicted)
Chemistry & industry
Suppliers1 total
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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