Basic information
- CAS
6797-70-2- Standard SMILES
CCOC(=O)C(c1ccccc1)N(CC)CC- InChIKey
RLGHMSKPCSEMRE-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- AC1Mwqqi
- IUPAC
- ethyl 2-(diethylamino)-2-phenylacetate
- English name
- α-(DiethylaMino)benzeneacetic Acid Ethyl Ester
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
6797-70-2AC1MWQQIDTXSID90395952RefChem:314045DTXCID20346811ethyl 2-(diethylamino)-2-phenylacetateALPHA-(DIETHYLAMINO)BENZENEACETIC ACID ETHYL ESTERstarbld0001972SCHEMBL8024263ethyl (diethylamino)(phenyl)acetateN,N-Diethyl-2-phenylglycine Ethyl EsterEthyl 2-(DiethylaMino)-2-phenylactetate
Show more names
α-(DiethylaMino)benzeneacetic Acid Ethyl EsterBenzeneacetic acid, α-(diethylamino)-, ethyl ester
Database identifiers
- CAS
6797-70-2- PubChem CID
- 3753552
- DTXSID
DTXSID90395952- Nikkaji
- J1.845.690G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 157 · 157-158 °C
- Boiling point
- 298.879 · 298.879±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.632 · 7.632±0.25(predicted)
Chemistry & industry
Applications
UsesAn amino ester reagent used in the preparation of α-aminoaldehydes.
Usesα-(DiethylaMino)benzeneacetic Acid Ethyl Ester is an amino ester reagent used in the preparation of α-aminoaldehydes.
Suppliers3 total
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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