Basic information
- CAS
4801-58-5- Standard SMILES
ON1CCCCC1- InChIKey
LKPFBGKZCCBZDK-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Names & identifiers
- Preferred name
- 1-Hydroxypiperidine
- IUPAC
- 1-hydroxypiperidine
- English name
- 1-Hydroxypiperidine
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
Piperidin-1-ol1-Hydroxypiperidine4801-58-5N-HydroxypiperidinePiperidine, 1-hydroxy-9ANQ5DB3A2DTXSID9063611RefChem:163559DTXCID7040603225-362-91-PIPERIDINOLMFCD00038048
Show more names
1-HYDROXYPIPERDINE1-hydroxy-piperidinBupivacaine Impurity 271-HYDROXYPIPERIDINE 96+%
EINECS 225-362-9BRN 01027265-20-03-00478 (Beilstein Handbook Reference)PiperidinolhydroxypiperidinepiperidolN-hydroxy-piperidine1-hydroxy-piperidine
Database identifiers
- CAS
4801-58-5- PubChem CID
- 20935
- DTXSID
DTXSID9063611- ChEMBL
CHEMBL277887- UNII
- 9ANQ5DB3A2
- EC Number
- 225-362-9
- Nikkaji
- J53.866C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50
Experimental & physicochemical properties
Physical DescriptionWhite hygroscopic fine crystals and fragments; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 37 · 37-39 °C
- Boiling point
- 146 · 146-148℃ (1 Torr)
- Density
- 0.9903 · 0.9903 (rough estimate)
- refractive index
- 1.455 · 1.4550 (estimate)
- Flash point
- 78 °C · 78 °C
- storage temp.
- 2 · 2-8°C
- pka
- 14.19 · 14.19±0.20(Predicted)
- form
- low melting solid
- color
- White
- BRN
- 102726 · 102726
- InChI
- 1S/C5H11NO/c7-6-4-2-1-3-5-6/h7H,1-5H2
- InChIKey
- LKPFBGKZCCBZDK-UHFFFAOYSA-N
- SMILES
- ON1CCCCC1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 ANQ5DB3A2 · 9ANQ5DB3A2
- EPA Substance Registry System
- 1 · Piperidine, 1-hydroxy- (4801-58-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- RTECS
- 6829550 · TN6829550
- F
- 3 · 3-10
- TSCA
- TSCA listed
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See TEMPO and Tempamine.
Safety data
- F
- 3-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TN6829550
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperidine, 1-hydroxy-: INACTIVE
Applications
UsesBase for Fmoc-based solid phase peptide synthesisLight stabilizing agent
UsesBase for Fmoc-based solid phase peptide synthesis1Light stabilizing agent2
Upstream & downstream products
Upstream raw materials
Suppliers52 total
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Related reactions
22 records
Compound notes
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