Basic information
- CAS
946787-15-1- Standard SMILES
Brc1ccccc1OCC1CCCNC1- InChIKey
LWSGZNITGPTSRL-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO
- Average molar mass
- 270.17 g/mol
- Monoisotopic mass
- 269.04153
Names & identifiers
- Preferred name
- 3-[(2-Bromophenoxy)methyl]piperidine
- IUPAC
- 3-[(2-bromophenoxy)methyl]piperidine
- English name
- 3-[(2-Bromophenoxy)methyl]piperidine
- Molecular formula
- C12H16BrNO
- Molecular weight
- 270.17
Names & synonyms
3-[(2-Bromophenoxy)methyl]piperidine946787-15-1Piperidine, 3-[(2-bromophenoxy)methyl]-DTXSID401289502AKOS010944094
Database identifiers
- CAS
946787-15-1- PubChem CID
- 45075313
- DTXSID
DTXSID401289502
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 188
Physicochemical properties
- Boiling point
- 342.8 · 342.8±12.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- pka
- 9.9 · 9.90±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
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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