3-[(2,3-Dichlorophenoxy)methyl]piperidine
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Basic information
- CAS
946713-10-6- Standard SMILES
Clc1cccc(OCC2CCCNC2)c1Cl- InChIKey
HFHOAPPVWYCDCO-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2NO
- Average molar mass
- 260.16 g/mol
- Monoisotopic mass
- 259.0530695
Names & identifiers
- Preferred name
- 3-[(2,3-Dichlorophenoxy)methyl]piperidine
- IUPAC
- 3-[(2,3-dichlorophenoxy)methyl]piperidine
- English name
- 3-[(2,3-DICHLOROPHENOXY)METHYL]PIPERIDINE
- Molecular formula
- C12H15Cl2NO
- Molecular weight
- 260.16
Names & synonyms
3-[(2,3-Dichlorophenoxy)methyl]piperidine946713-10-63-((2,3-DICHLOROPHENOXY)METHYL)PIPERIDINEAKOS010944243Piperidine, 3-[(2,3-dichlorophenoxy)methyl]-
Database identifiers
- CAS
946713-10-6- PubChem CID
- 45075316
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 359 · 359.0±22.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 9.88 · 9.88±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
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Compound notes
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