Ethyl 4-(benzyl(2-ethoxy-2-oxoethyl)amino)butanoate
Basic information
- CAS
63876-32-4- Standard SMILES
CCOC(=O)CCCN(CC(=O)OCC)Cc1ccccc1- InChIKey
MLUXZXWFKYDTTJ-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- Ethyl 4-(benzyl(2-ethoxy-2-oxoethyl)amino)butanoate
- IUPAC
- ethyl 4-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoate
- English name
- 4-(BENZYL-ETHOXYCARBONYLMETHYL-AMINO)-BUTYRIC ACID ETHYL ESTER
- Molecular formula
- C17H25NO4
- Molecular weight
- 307.38
Names & synonyms
63876-32-4Ethyl 4-(benzyl(2-ethoxy-2-oxoethyl)amino)butanoateETHYL 4-[BENZYL(2-ETHOXY-2-OXOETHYL)AMINO]BUTANOATEMFCD09030051ethyl 4-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoateEINECS 264-542-14-(BENZYL-ETHOXYCARBONYLMETHYL-AMINO)-BUTYRIC ACID ETHYL ESTEREthyl 4-(benzyl(2-ethoxy-2-oxoethyl)amino)butyrateEthyl4-(benzyl(2-ethoxy-2-oxoethyl)amino)butanoateSCHEMBL6659347DTXSID50980661MLUXZXWFKYDTTJ-UHFFFAOYSA-N
Show more names
ethyl 4-[benzyl(2-ethoxy-2-oxoethyl)amino]butyrate4-[(2-Ethoxy-2-oxoethyl)(phenylmethyl)amino]butanoic acid ethyl esterButanoic acid, 4-[(2-ethoxy-2-oxoethyl)(phenylMethyl)aMino]-, ethyl ester
AKOS015963930AS-71392DA-34051SY259864CS-0317431NS00054315ethyl 4-[benzyl-(2-ethoxy-2-oxo-ethyl)amino]butanoate
Database identifiers
- CAS
63876-32-4- PubChem CID
- 3017464
- DTXSID
DTXSID50980661- EC Number
- 264-542-1
- Nikkaji
- J286.585H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 137 · 137-140 °C(Press: 0.06 Torr)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.08 · 6.08±0.50(Predicted)
- 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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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