1-Benzyl 2-ethyl 3-oxopyrrolidine-1,2-dicarboxylate
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Basic information
- CAS
51814-18-7- Standard SMILES
CCOC(=O)C1C(=O)CCN1C(=O)OCc1ccccc1- InChIKey
TWMLDSILQXQPCW-UHFFFAOYSA-N- Molecular formula
- C15H17NO5
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.11067264
Names & identifiers
- Preferred name
- 1-Benzyl 2-ethyl 3-oxopyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-benzyl 2-O-ethyl 3-oxopyrrolidine-1,2-dicarboxylate
- English name
- 1-N-Cbz-3-Oxo-pyrrolidine-2-carboxylic acid ethyl ester
- Molecular formula
- C15H17NO5
- Molecular weight
- 291.3
Names & synonyms
51814-18-71-N-Cbz-3-Oxo-pyrrolidine-2-carboxylic acid ethyl ester1-benzyl 2-ethyl 3-oxopyrrolidine-1,2-dicarboxylate3-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester 2-ethyl esterMFCD110524411-O-benzyl 2-O-ethyl 3-oxopyrrolidine-1,2-dicarboxylateSCHEMBL13032699AS-5785AT50690SB37464SY508849Ethyl 1-Cbz-3-oxopyrrolidine-2-carboxylate
Show more names
N-Cbz-3-Oxo-pyrrolidine-2-carboxylic acid ethyl ester1,2-Pyrrolidinedicarboxylic acid, 3-oxo-, 2-ethyl 1-(phenylmethyl) ester
CS-03422921-benzyl2-ethyl3-oxopyrrolidine-1,2-dicarboxylateF316578O1-benzyl O2-ethyl 3-oxopyrrolidine-1,2-dicarboxylate
Database identifiers
- CAS
51814-18-7- PubChem CID
- 14735129
- EC Number
- 876-123-6
- Nikkaji
- J1.345.902I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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