1-(3-Bromobenzyl)piperidine
Basic information
- CAS
59507-40-3- Standard SMILES
Brc1cccc(CN2CCCCC2)c1- InChIKey
HQVJFZUPPAXRCS-UHFFFAOYSA-N- Molecular formula
- C12H16BrN
- Average molar mass
- 254.17 g/mol
- Monoisotopic mass
- 253.04661
Names & identifiers
- Preferred name
- 1-(3-Bromobenzyl)piperidine
- IUPAC
- 1-[(3-bromophenyl)methyl]piperidine
- English name
- 1-(3-Bromobenzyl)piperidine
- Molecular formula
- C12H16BrN
- Molecular weight
- 254.17
Names & synonyms
1-(3-Bromobenzyl)piperidine59507-40-3DTXSID80397248RefChem:224207DTXCID103481071-[(3-bromophenyl)methyl]piperidineMFCD06080691Piperidine,1-[(3-bromophenyl)methyl]-SCHEMBL36415613-(1-piperidylmethyl)-bromobenzeneAKOS000320973AB22996
Show more names
1-Bromo-3-[(piperidin-1-yl)methyl]benzene
PIPERIDINE, 1-[(3-BROMOPHENYL)METHYL]-AMY27215SCHEMBL29197757ALBB-015284AS-93930CS-0195023E89822EN300-266163
Database identifiers
- CAS
59507-40-3- PubChem CID
- 3847066
- DTXSID
DTXSID80397248
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 75 °C · 75 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 302.9 · 302.9±17.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 8.84 · 8.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Related reactions
1 records
Compound notes
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