Diethyl 2-(2-methoxyphenyl)iminobutanedioate
Basic information
- CAS
6961-59-7- Standard SMILES
CCOC(=O)CC(=Nc1ccccc1OC)C(=O)OCC- InChIKey
IHHSATHPJAOPRP-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Names & identifiers
- Preferred name
- Diethyl 2-(2-methoxyphenyl)iminobutanedioate
- IUPAC
- diethyl 2-(2-methoxyphenyl)iminobutanedioate
- English name
- Butanedioic acid,2-[(2-methoxyphenyl)imino]-, 1,4-diethyl ester
- Molecular formula
- C15H19NO5
- Molecular weight
- 293.32
Names & synonyms
6961-59-7diethyl 2-(2-methoxyphenyl)iminobutanedioateNSC62704NCIOpen2_002698DTXSID40289675NSC-62704AKOS024332204DIETHYL 2-(2-METHOXYPHENYLIMINO)-SUCCINATEDiethyl (2E)-2-[(2-methoxyphenyl)imino]butanedioateIHHSATHPJAOPRP-UHFFFAOYSA-N1,4-Diethyl 2-[(2-methoxyphenyl)imino]butanedioateButanedioic acid,2-[(2-methoxyphenyl)imino]-, 1,4-diethyl ester
Database identifiers
- CAS
6961-59-7- PubChem CID
- 247672
- DTXSID
DTXSID40289675
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 63.5 °C · 63.5 °C(Solvent: Ethanol)
- Boiling point
- 411.61 · 411.610±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.121 · 1.121±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.107 · 1.107±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…