Ethyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
Basic information
- CAS
106556-66-5- Standard SMILES
CCOC(=O)N1CCC(=O)C1(C)C- InChIKey
HWPDAUHYYHRPNF-UHFFFAOYSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Names & identifiers
- Preferred name
- Ethyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
- IUPAC
- ethyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
- English name
- 2,2-Dimethyl-3-oxo-pyrrolidine-1-carboxylic acid ethyl ester
- Molecular formula
- C9H15NO3
- Molecular weight
- 185.22
Names & synonyms
106556-66-5ethyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylateDTXSID20544794RefChem:342154DTXCID604955792,2-Dimethyl-3-oxo-pyrrolidine-1-carboxylic acid ethyl esterEthyl 2,2-dimethyl-3-oxo-pyrrolidine-1-carboxylateMFCD098352972,2-Dimethyl-3-SCHEMBL22613681Ethyl 22-dimethyl-3-oxopyrrolidine-1-carboxylateEthyl2,2-dimethyl-3-oxo-pyrrolidine-1-carboxylate
Show more names
2,2-Dimethyl-3-oxo-pyrrolin-1-carboxylate ethyl esterEthyl 2,2-diMethyl-3-oxo-pyrrolidine-1-carboxylate ethyl2,2-Dimethyl-3-oxo-1-pyrrolidinecarboxylic acid ethyl ester1-Pyrrolidinecarboxylic acid, 2,2-diMethyl-3-oxo-, ethyl ester
AKOS006329186CS-W001163GS-4246AC-26696SY110847DB-031068ethyl2,2-dimethyl-3-oxopyrrolidine-1-carboxylateF049889
Database identifiers
- CAS
106556-66-5- PubChem CID
- 13601738
- DTXSID
DTXSID20544794
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 200 · 200-202℃ (4 Torr)
- Density
- 1.097 · 1.097±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 113.3 · 113.3±25.4℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.66 · -1.66±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
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