3-(2,5-Dichlorophenoxy)piperidine
Basic information
- CAS
946759-06-4- Standard SMILES
Clc1ccc(Cl)c(OC2CCCNC2)c1- InChIKey
QMTVYKYQMXJBEC-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2NO
- Average molar mass
- 246.13 g/mol
- Monoisotopic mass
- 245.0374194
Names & identifiers
- Preferred name
- 3-(2,5-Dichlorophenoxy)piperidine
- IUPAC
- 3-(2,5-dichlorophenoxy)piperidine
- English name
- 3-(2,5-Dichlorophenoxy)piperidine
- Molecular formula
- C11H13Cl2NO
- Molecular weight
- 246.13
Names & synonyms
3-(2,5-Dichlorophenoxy)piperidine946759-06-4DTXSID70663020AKOS010951078CS-0271347EN300-19683973-(2,5-Dichlorophenoxy)piperidine, CTK6G8772, MolPort-003-993-047, AKOS010951078, AG-A-49849, 946759-06-4Piperidine, 3-(2,5-dichlorophenoxy)-
Database identifiers
- CAS
946759-06-4- PubChem CID
- 45075388
- DTXSID
DTXSID70663020
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 203
Physicochemical properties
- 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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