3-Hydroxypiperidin-2-one
Basic information
- CAS
19365-08-3- Standard SMILES
O=C1NCCCC1O- InChIKey
RYKLZUPYJFFNRR-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- 3-Hydroxypiperidin-2-one
- IUPAC
- 3-hydroxypiperidin-2-one
- English name
- 3-hydroxypiperidin-2-one
- Molecular formula
- C5H9NO2
- Molecular weight
- 115.13
Names & synonyms
3-hydroxypiperidin-2-one19365-08-3DTXSID50295242RefChem:94383DTXCID00246380839-972-33-Hydroxy-2-piperidone3-hydroxy-2-piperidinoneMFCD000231632-Piperidinone, 3-hydroxy-3-hydroxy-piperidin-2-oneNSC100722
Show more names
Isoxazole,3-(chloromethyl)-6-methyl-2-Piperidinone,3-hydroxy- CAS NO.19365-08-3
SILVERMETHANESULFONATESCHEMBL2785455SCHEMBL9597337CHEMBL4535577RYKLZUPYJFFNRR-UHFFFAOYSA-NAKOS006274551CS-W008630GS-3884
Database identifiers
- CAS
19365-08-3- PubChem CID
- 264990
- DTXSID
DTXSID50295242- ChEMBL
CHEMBL4535577- EC Number
- 839-972-3
- Nikkaji
- J603.317B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 141 · 141-142 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 352.3 · 352.3±35.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.82 · 12.82±0.20(Predicted)
- Appearance
- Off-white to light brown Solid
- optical activity
- -0.14 ° · -0.14° (C=1.00 g/100ml, MEOH)
- InChI
- InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)
- InChIKey
- RYKLZUPYJFFNRR-UHFFFAOYSA-N
- SMILES
- N1CCCC(O)C1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-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.
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Hydroxypiperidin-2-one, is a building block used in the synthesis of various compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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