1-(2-Bromobutanoyl)piperidine
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Basic information
- CAS
54261-07-3- Standard SMILES
CCC(Br)C(=O)N1CCCCC1- InChIKey
DVMIWCRMTVHZHT-UHFFFAOYSA-N- Molecular formula
- C9H16BrNO
- Average molar mass
- 234.13 g/mol
- Monoisotopic mass
- 233.04153
Names & identifiers
- Preferred name
- 1-(2-Bromobutanoyl)piperidine
- IUPAC
- 2-bromo-1-piperidin-1-ylbutan-1-one
- English name
- 1-(2-bromobutanoyl)piperidine
- Molecular formula
- C9H16BrNO
- Molecular weight
- 234.13
Names & synonyms
1-(2-bromobutanoyl)piperidine54261-07-32-bromo-1-(piperidin-1-yl)butan-1-oneMFCD030303812-bromo-1-piperidin-1-ylbutan-1-oneSCHEMBL15364713DVMIWCRMTVHZHT-UHFFFAOYSA-NALBB-0071312-bromo-1-(1-piperidyl)butan-1-oneAKOS000264948AKOS016345487LS-02604
Show more names
1-Butanone, 2-bromo-1-(1-piperidinyl)-
CS-0327027H24421
Database identifiers
- CAS
54261-07-3- PubChem CID
- 13036622
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 306.4 · 306.4±25.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- -0.91 · -0.91±0.20(Predicted)
- 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_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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