3-(3-Bromophenoxy)piperidine
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Basic information
- CAS
946681-09-0- Standard SMILES
Brc1cccc(OC2CCCNC2)c1- InChIKey
CLKKEMYCKKEASI-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO
- Average molar mass
- 256.14 g/mol
- Monoisotopic mass
- 255.02588
Names & identifiers
- Preferred name
- 3-(3-Bromophenoxy)piperidine
- IUPAC
- 3-(3-bromophenoxy)piperidine
- English name
- 3-(3-BROMOPHENOXY)PIPERIDINE
- Molecular formula
- C11H14BrNO
- Molecular weight
- 256.14
Names & synonyms
3-(3-BROMOPHENOXY)PIPERIDINE946681-09-0DTXSID30663026AKOS005263845DB-251787C786203-(3-Bromophenoxy)piperidine Hydrochloride SaltEN300-1913868Piperidine, 3-(3-bromophenoxy)-3-(3-BroMophenoxy)piperidine HCl
Database identifiers
- CAS
946681-09-0- PubChem CID
- 45075398
- DTXSID
DTXSID30663026
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 325.4 · 325.4±32.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 9.13 · 9.13±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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