Basic information
- CAS
86364-65-0- Standard SMILES
CCOC(=O)c1ccc(N2CCCC2=O)cc1- InChIKey
ZXNIZQXQPLRWCF-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- Ethyl 4-(2-oxopyrrolidin-1-yl)benzoate
- IUPAC
- ethyl 4-(2-oxopyrrolidin-1-yl)benzoate
- English name
- Ethyl 4-(2-oxo-1-pyrrolidinyl)benzenecarboxylate
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
ethyl 4-(2-oxopyrrolidin-1-yl)benzoate86364-65-0DTXSID30369495RefChem:343686DTXCID80320531MFCD00973916Benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-, ethyl esterethyl 4-(2-oxopyrrolidinyl)benzoateethyl 4-(2-oxo-1-pyrrolidinyl)benzenecarboxylateethyl 4-(2-oxo-1-pyrrolidinyl)benzoateCHEMBL29367SCHEMBL4196712
Show more names
BUTTPARK 19\07-88
HMS5090F18SBB098092STK735165AKOS003389747Ethyl 4-(2-pyrrolidon-1-yl)benzoateethyl4-(2-oxopyrrolidin-1-yl)benzoateSY300743ST4129439
Database identifiers
- CAS
86364-65-0- PubChem CID
- 2728186
- DTXSID
DTXSID30369495- ChEMBL
CHEMBL29367
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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