3-(3,4-Dichlorophenoxy)piperidine

Substructure search Find similar structures

Basic information

CAS: 946714-37-0
Standard SMILES: Clc1ccc(OC2CCCNC2)cc1Cl
InChIKey: AAUULHFULVCBOO-UHFFFAOYSA-N
Molecular formula: C11H13Cl2NO
Average molar mass: 246.13 g/mol
Monoisotopic mass: 245.0374194

Names & identifiers

Preferred name: 3-(3,4-Dichlorophenoxy)piperidine
IUPAC: 3-(3,4-dichlorophenoxy)piperidine
English name: 3-(3,4-DICHLOROPHENOXY)PIPERIDINE
Molecular formula: C11H13Cl2NO
Molecular weight: 246.13

Names & synonyms

3-(3,4-Dichlorophenoxy)piperidine946714-37-0DTXSID10663029AKOS010951558CS-0271350EN300-147308Piperidine, 3-(3,4-dichlorophenoxy)-

Database identifiers

CAS: 946714-37-0
PubChem CID: 45075402
DTXSID: DTXSID10663029

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 203

Physicochemical properties

Boiling point: 346.3 · 346.3±42.0 °C(Predicted)
Density: 1.256 · 1.256±0.06 g/cm3(Predicted)
pka: 8.94 · 8.94±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

New reaction record

No reaction records under the current filter.

Compound notes

Loading…