Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
Basic information
- CAS
1838-39-7- Standard SMILES
CCOC(=O)CN1CCC(C(=O)OCC)CC1- InChIKey
OBXXSRPAQLOXJN-UHFFFAOYSA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.14705815
Names & identifiers
- Preferred name
- Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
- IUPAC
- ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
- English name
- Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
- Molecular formula
- C12H21NO4
- Molecular weight
- 243.3
Names & synonyms
Ethyl 4-(ethoxycarbonyl)piperidine-1-acetateEINECS 217-412-3DTXSID60171482NSC 100756RefChem:595268DTXCID5093973217-412-31838-39-7ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylateMFCD001019291-carbethoxymethyl-4-carbethoxypiperidineETHYL 1-ETHOXYCARBONYLMETHYL-PIPERIDINE-4-CARBOXYLATE
Show more names
Ethyl 1-(2-ethoxy-2-oxoethyl)EthylN-ethyl-4-piperidinecarboxylateEthyl 4-(ethoxycarbonyl)-1-piperidineacetateN-Ethyl aletate-4-Ethy PiperidinelarboxylateEthyl N-ethyl acetate-4-piperidinecarboxylatePIPERIDINE-1,4-DICARBOXYLIC ACID DIETHYL ESTERImpurity 16 of pentaethyl quinone hydrochloride
Ethyl 1-ethoxycarbonylmethyl-iso-nipecotate1-Piperidineacetic acid, 4-(ethoxycarbonyl)-, ethyl esterNSC-100756CS-0001444Ethyl 1-(ethoxycarbonylmethyl)piperidine-4-carboxylate1-Piperidineacetic acid, 4-[ethoxycarbonyl]-, ethyl esterethyl 2-[4-(ethoxycarbonyl)piperidyl]acetateEthyl 1-?(2-?Ethoxy-?2-?oxoethyl)?-?4-?piperidinecarboxylat?e
Database identifiers
- CAS
1838-39-7- PubChem CID
- 74605
- DTXSID
DTXSID60171482- UNII
- M9EUA96ESY
- EC Number
- 217-412-3
- Nikkaji
- J199.654A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 101 · 101-103 °C
- Density
- 1.057 g/cm3 · 1.057 g/cm3(Temp: 15 °C)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.35 · 6.35±0.10(Predicted)
- Appearance
- Light yellow to yellow Liquid
- FDA UNII
- 9 EUA96ESY · M9EUA96ESY
- Comptox DTXSID
- 60171482 · DTXSID60171482
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- HS Code
- 2933399090 · 2933399090
- REACH Registrations
- Active
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 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate (EC: 217-412-3)
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Safety data
- hs_code
- 2933399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
UsesEthyl 1-(2-Ethoxy-2-oxoethyl)-4-piperidinecarboxylate is a reagent used in the is a reagent used in the preparation of quinuclidine derivatives.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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