Ketone, piperidino 3-piperidyl
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Basic information
- CAS
40576-21-4- Standard SMILES
O=C(C1CCCNC1)N1CCCCC1- InChIKey
OSZRYTYCKGZYLB-UHFFFAOYSA-N- Molecular formula
- C11H20N2O
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.15756327
Names & identifiers
- Preferred name
- Ketone, piperidino 3-piperidyl
- IUPAC
- piperidin-1-yl(piperidin-3-yl)methanone
- English name
- PIPERIDINO(3-PIPERIDINYL)METHANONE HYDROCHLORIDE
- Molecular formula
- C11H20N2O
- Molecular weight
- 196.29
Names & synonyms
40576-21-4Ketone, piperidino 3-piperidylRefChem:1088051piperidin-1-yl(piperidin-3-yl)methanone1-(piperidin-3-ylcarbonyl)piperidine1,3'-Carbonyldi(piperidine)Piperidino 3-piperidyl ketone3-(Piperidinocarbonyl)piperidinePiperidine, 1-(3-piperidyl)carbonyl-BRN 03909731-(3-piperidinylcarbonyl)piperidine5-22-01-00236 (Beilstein Handbook Reference)
Show more names
MO 01165ketone,piperidino3-piperidyl1-(3-piperidyl)carbonyl-piperidinPiperidino(3-piperidinyl)methanoneHClPiperidine, 1-(3-piperidinylcarbonyl)-Methanone, 1-piperidinyl-3-piperidinyl-
3-piperidyl piperidyl ketone3-(piperidine-1-carbonyl)piperidine1-(piperidine-3-carbonyl)piperidinePiperidin-3-yl-piperidin-1-yl-methanoneOprea1_061803SCHEMBL319228orb3031142SCHEMBL5653409
Database identifiers
- CAS
40576-21-4- PubChem CID
- 218422
- DTXSID
DTXSID70960980- Nikkaji
- J71.244B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 215 °C · 215 °C
- Boiling point
- 333.19 °C · 333.19°C (rough estimate)
- Density
- 1.0014 · 1.0014 (rough estimate)
- refractive index
- 1.462 · 1.4620 (estimate)
- form
- liquid
- color
- Clear
- CAS DataBase Reference
- 40576 · 40576-21-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- 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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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