Diethyl 2-(2-phenylhydrazono)malonate
Completing data — refresh the page later to see the latest
Basic information
- CAS
6134-59-4- Standard SMILES
CCOC(=O)C(=NNc1ccccc1)C(=O)OCC- InChIKey
SHLSEDSSRWFXJI-UHFFFAOYSA-N- Molecular formula
- C13H16N2O4
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.111007
Names & identifiers
- Preferred name
- Diethyl 2-(2-phenylhydrazono)malonate
- IUPAC
- diethyl 2-(phenylhydrazinylidene)propanedioate
- English name
- 2-(PHENYLHYDRAZONO)MALONIC ACID DIETHYL ESTER
- Molecular formula
- C13H16N2O4
- Molecular weight
- 264.28
Names & synonyms
Diethyl 2-(2-phenylhydrazono)malonate6134-59-4diethyl 2-(phenylhydrazinylidene)propanedioateNSC2307Diethyl2-(2-phenylhydrazono)malonatePropanedioic acid, (phenylhydrazono)-, diethyl esterDTXSID30277425SHLSEDSSRWFXJI-UHFFFAOYSA-NNSC 2307NSC-2307Diethyl 2-(phenylhydrazono)malonate #Diethyl (2-phenylhydrazinylidene)propanedioate
Show more names
DIETHYL 2-(PHENYLHYDRAZONO)MALONATE2-(PHENYLHYDRAZONO)MALONIC ACID DIETHYL ESTERPropanedioic acid, 2-(2-phenylhydrazinylidene)-, 1,3-diethyl ester
Mesoxalic acid, diethyl ester, phenylhydrazoneMesoxalic acid, phenylhydrazone, diethyl esterMesoxalic acid, diethyl ester, 2-(phenylhydrazone)
Database identifiers
- CAS
6134-59-4- PubChem CID
- 220064
- DTXSID
DTXSID30277425- Nikkaji
- J131.857H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 76 · 76-77 °C
- Boiling point
- 162 °C · 162 °C(Press: 0.6 Torr)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 7.87 · 7.87±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…