1-(2,2-Diethoxyethyl)piperidine
Basic information
- CAS
3616-58-8- Standard SMILES
CCOC(CN1CCCCC1)OCC- InChIKey
VSHHRRNJQBETGT-UHFFFAOYSA-N- Molecular formula
- C11H23NO2
- Average molar mass
- 201.31 g/mol
- Monoisotopic mass
- 201.17287898
Names & identifiers
- Preferred name
- 1-(2,2-Diethoxyethyl)piperidine
- IUPAC
- 1-(2,2-diethoxyethyl)piperidine
- English name
- N-(2,2-Diethoxyethyl)piperidine
- Molecular formula
- C11H23NO2
- Molecular weight
- 201.31
Names & synonyms
1-(2,2-Diethoxyethyl)piperidine3616-58-8EINECS 222-802-1Piperidine, 1-(2,2-diethoxyethyl)-NSC 661581-Piperidineacetaldehyde, diethyl acetalBRN 0109383FC7DV8275SDTXSID40189727NSC-661584-20-00-00865 (Beilstein Handbook Reference)RefChem:420188
Show more names
TIMTEC-BB SBB0004021-(2,2-Diethoxyethyl)1-(2,2-DIETHOXYETHYL)-PIPERIDINEPIPERIDINOACETALDEHYDE DIETHYLCETALPiperidine-1-acetaldehyde diethyl acetal1-PIPERIDINEACETAL DEHYDE DIETHYL ACETAL
DTXCID00112218PIPERIDINE, 1-(2,2-DIETHOXYETHYL)-(9CI)222-802-1N-(2,2-Diethoxyethyl)piperidineMFCD00006505PiperidinoacetalPiperidine, 1-(2,2-diethoxyethyl)- (9CI)1,1-diethoxy-2-piperidylethane
Database identifiers
- CAS
3616-58-8- PubChem CID
- 77165
- DTXSID
DTXSID40189727- UNII
- FC7DV8275S
- EC Number
- 222-802-1
- Nikkaji
- J77.330A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 219 · 219-221 °C(lit.)
- Density
- 0.915 g/mL · 0.915 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.443(lit.)
- Flash point
- 177 °F · 177 °F
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 8.09 · 8.09±0.10(Predicted)
- InChI
- 1S/C11H23NO2/c1-3-13-11(14-4-2)10-12-8-6-5-7-9-12/h11H,3-10H2,1-2H3
- InChIKey
- VSHHRRNJQBETGT-UHFFFAOYSA-N
- SMILES
- CCOC(CN1CCCCC1)OCC
- FDA UNII
- 7 DV8275S · FC7DV8275S
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- TM3505000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for:• ;Ethylene trimerisation1• ;Synthesis of aryl-substituted piperidines by superacid activation of piperidones2• ;Studies involving elimination reactions3
UsesReactant for:Ethylene trimerisationSynthesis of aryl-substituted piperidines by superacid activation of piperidonesStudies involving elimination reactions
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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