4-(Piperidin-1-yl)butan-2-one
Basic information
- CAS
16635-03-3- Standard SMILES
CC(=O)CCN1CCCCC1- InChIKey
MSKZPGQVBNOLON-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 4-(Piperidin-1-yl)butan-2-one
- IUPAC
- 4-piperidin-1-ylbutan-2-one
- English name
- 4-(1-PIPERIDINYL)-2-BUTANONE
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
4-(Piperidin-1-yl)butan-2-one16635-03-3RefChem:516663840-313-72-Butanone, 4-(1-piperidinyl)-4-piperidin-1-ylbutan-2-one4-(1-Piperidinyl)-2-butanone4-piperidino-butan-2-one4-(1-piperidyl)butan-2-oneSCHEMBL1286683SCHEMBL3765776SCHEMBL4030051
Show more names
MSKZPGQVBNOLON-UHFFFAOYSA-N4-(1-Piperidinyl)-2-butanone #RAA63503MFCD00461864AKOS000141103SB41772CS-0447744EN300-78956
Database identifiers
- CAS
16635-03-3- PubChem CID
- 414358
- EC Number
- 840-313-7
- Nikkaji
- J1.720.420C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 100 · 100-101 °C(Press: 11 Torr)
- Density
- 0.9349 g/cm3 · 0.9349 g/cm3
- refractive index
- 1.459 · 1.459
- Flash point
- 79 ° · 79°
- pka
- 8.8 · 8.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- RIDADR
- 1993 · NA1993
- HazardClass
- CBL
- Excepted Quantities
- Non-Hazardous
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- NA1993
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- CBL
- Hazard statements
- H319-H302-H315-H335
- Excepted Quantities
- Non-Hazardous
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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