Basic information
- CAS
65171-68-8- Standard SMILES
CCOC(=O)CNC=C(C(=O)OCC)C(=O)OCC- InChIKey
NPJZMYSOSBWWMZ-UHFFFAOYSA-N- Molecular formula
- C12H19NO6
- Average molar mass
- 273.28 g/mol
- Monoisotopic mass
- 273.12123733
Names & identifiers
- Preferred name
- Diethyl 2-{[(2-ethoxy-2-oxoethyl)amino]methylene}malonate
- IUPAC
- diethyl 2-[[(2-ethoxy-2-oxoethyl)amino]methylidene]propanedioate
- English name
- DIETHYL 2-([(2-ETHOXY-2-OXOETHYL)AMINO]METHYLENE)MALONATE
- Molecular formula
- C12H19NO6
- Molecular weight
- 273.28
Names & synonyms
65171-68-8diethyl 2-{[(2-ethoxy-2-oxoethyl)amino]methylene}malonatediethyl 2-[[(2-ethoxy-2-oxoethyl)amino]methylidene]propanedioate1,3-diethyl 2-{[(2-ethoxy-2-oxoethyl)amino]methylidene}propanedioateDiethyl 2-(((2-ethoxy-2-oxoethyl)amino)methylene)malonateSMR000179379MLS000326834CHEMBL3189167DTXSID401166302HMS2286B05AKOS000778180CS-0361260
Show more names
DIETHYL 2-([(2-ETHOXY-2-OXOETHYL)AMINO]METHYLENE)MALONATE
ST503363674P-704Diethyl {[(2-ethoxy-2-oxoethyl)amino]methylidene}propanedioate1,3-Diethyl 2-[[(2-ethoxy-2-oxoethyl)amino]methylene]propanedioate1,3-diethyl2-{[(2-ethoxy-2-oxoethyl)amino]methylidene}propanedioatediethyl 2-[[(2-ethoxy-2-oxo-ethyl)amino]methylene]propanedioatediethyl 2-({[(ethoxycarbonyl)methyl]amino}methylene)propane-1,3-dioatePropanedioic acid, 2-[[(2-ethoxy-2-oxoethyl)amino]methylene]-, 1,3-diethyl ester
Database identifiers
- CAS
65171-68-8- PubChem CID
- 3697300
- DTXSID
DTXSID401166302
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 97.5 · 97.5-99.0 °C(Solv: ethanol (64-17-5))
- Boiling point
- 335.4 · 335.4±42.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- -0.36 · -0.36±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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