Basic information
- CAS
23999-02-2- Standard SMILES
CCOC(=O)C(CCN(CC)CC)C(C)=O- InChIKey
ZQQHBSPNJHQAKU-UHFFFAOYSA-N- Molecular formula
- C12H23NO3
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.1677936
Names & identifiers
- Preferred name
- Ethyl 2-(2-(diethylamino)ethyl)acetoacetate
- IUPAC
- ethyl 2-[2-(diethylamino)ethyl]-3-oxobutanoate
- English name
- ethyl 2-[2-(diethylamino)ethyl]acetoacetate
- Molecular formula
- C12H23NO3
- Molecular weight
- 229.32
Names & synonyms
23999-02-2Ethyl 2-(2-(diethylamino)ethyl)acetoacetateETHYL 2-[2-(DIETHYLAMINO)ETHYL]-3-OXOBUTANOATEEthyl 2-[2-(diethylamino)ethyl]acetoacetateEthyl 2-acetyl-4-(diethylamino)butanoateEINECS 245-977-6DTXSID90946842ZQQHBSPNJHQAKU-UHFFFAOYSA-Nethyl 2-(2-diethylaminoethyl)acetoacetateNS00050977Ethyl -[-(diethylamino)ethyl]acetoacetateEthyl2-(2-(diethylamino)ethyl)-3-oxobutanoate
Show more names
3-Oxo-2-[2-(diethylamino)ethyl]butyric acid ethyl esterButanoic acid, 2-[2-(diethylamino)ethyl]-3-oxo-, ethyl ester
Database identifiers
- CAS
23999-02-2- PubChem CID
- 91109
- DTXSID
DTXSID90946842- EC Number
- 245-977-6
- Nikkaji
- J242.716H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 100 · 100-105 °C(Press: 0.4 Torr)
- Density
- 0.976 · 0.976±0.06 g/cm3(Predicted)
- pka
- 11.53 · 11.53±0.59(Predicted)
Chemistry & industry
Applications
UsesEthyl 2-[2-(diethylamino)ethyl]acetoacetate can be used as an intermediate of ethylamine coumarin hydrochloride.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…