1,3-Di(piperidin-1-yl)propane-1,3-dione
Basic information
- CAS
54561-77-2- Standard SMILES
O=C(CC(=O)N1CCCCC1)N1CCCCC1- InChIKey
FFUHZFJGULSMMA-UHFFFAOYSA-N- Molecular formula
- C13H22N2O2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.16812795
Names & identifiers
- Preferred name
- 1,3-Di(piperidin-1-yl)propane-1,3-dione
- IUPAC
- 1,3-di(piperidin-1-yl)propane-1,3-dione
- English name
- 1,3-DI-PIPERIDIN-1-YL-PROPANE-1,3-DIONE
- Molecular formula
- C13H22N2O2
- Molecular weight
- 238.33
Names & synonyms
54561-77-21,3-di(piperidin-1-yl)propane-1,3-dioneDTXSID50368147RefChem:218252DTXCID603191851,3-Di-piperidin-1-yl-propane-1,3-dione1,3-bis(piperidin-1-yl)propane-1,3-dioneEnamine_001532Oprea1_720212SCHEMBL14349488HMS1398F14ECA56177
Show more names
Piperidine, 1,1'-(1,3-dioxo-1,3-propanediyl)bis-Piperidine, 1,1'-(1,3-dioxo-1,3-propanediyl)bis- (9CI)
AKOS0010136451,3-bis(1-piperidyl)propane-1,3-dioneCS-0219463EN300-04098SR-01000030561SR-01000030561-1Z56806000
Database identifiers
- CAS
54561-77-2- PubChem CID
- 2334552
- DTXSID
DTXSID50368147
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 438.8 · 438.8±28.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 10.94 · 10.94±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P302+P352-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
- P261-P280-P302+P352-P305+P351+P338
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Related reactions
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Compound notes
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