4-Chloro-1-(piperidin-1-yl)butan-1-one
Basic information
- CAS
90436-20-7- Standard SMILES
O=C(CCCCl)N1CCCCC1- InChIKey
NLURCGOBHUYBNK-UHFFFAOYSA-N- Molecular formula
- C9H16ClNO
- Average molar mass
- 189.68 g/mol
- Monoisotopic mass
- 189.0920418
Names & identifiers
- Preferred name
- 4-Chloro-1-(piperidin-1-yl)butan-1-one
- IUPAC
- 4-chloro-1-piperidin-1-ylbutan-1-one
- English name
- 4-chloro-1-(piperidin-1-yl)butan-1-one
- Molecular formula
- C9H16ClNO
- Molecular weight
- 189.68
Names & synonyms
4-chloro-1-(piperidin-1-yl)butan-1-one90436-20-71-(4-chloro-1-oxobutyl)piperidine4-chloro-1-piperidin-1-ylbutan-1-oneNSC195008SCHEMBL4300046DTXSID00307763NLURCGOBHUYBNK-UHFFFAOYSA-NQDA43620AKOS000149353NSC-195008NCGC00660426-01
Show more names
1-Butanone, 4-chloro-1-(1-piperidinyl)-
EN300-171220
Database identifiers
- CAS
90436-20-7- PubChem CID
- 304080
- DTXSID
DTXSID00307763
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 317.5 · 317.5±25.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- -0.51 · -0.51±0.20(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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
Loading…