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Basic information
- CAS
104007-10-5- Standard SMILES
CCOC(=O)C(=CNc1ccc(C(=O)OCC)cc1)C(=O)OCC- InChIKey
IFSDKFQVVWCOJT-UHFFFAOYSA-N- Molecular formula
- C17H21NO6
- Average molar mass
- 335.356 g/mol
- Monoisotopic mass
- 335.13688739
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]propanedioate
- IUPAC
- Diethyl {[4-(ethoxycarbonyl)anilino]methylidene}propanedioate
- English name
- diethyl ({[4-(ethoxycarbonyl)phenyl]amino}methylidene)propanedioate
- Molecular formula
- C17H21NO6
- Molecular weight
- 335.35
Names & synonyms
diethyl ({[4-(ethoxycarbonyl)phenyl]amino}methylidene)propanedioatePropanedioic acid, 2-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]-, 1,3-diethyl ester
Database identifiers
- CAS
104007-10-5- PubChem CID
- 2020487
- DTXSID
DTXSID901151370- ChEMBL
CHEMBL599680
Properties
Physicochemical properties
- Boiling point
- 416.9 · 416.9±45.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- pka
- -3.24 · -3.24±0.70(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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