1,3-Diethyl propanediimidate
Basic information
- CAS
26315-24-2- Standard SMILES
CCOC(=N)CC(=N)OCC- InChIKey
RZVGUUMNWCDIBV-UHFFFAOYSA-N- Molecular formula
- C7H14N2O2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.10552769
Names & identifiers
- Preferred name
- 1,3-Diethyl propanediimidate
- IUPAC
- diethyl propanediimidate
- English name
- MALONODIIMIDIC ACID DIETHYL ESTER HYDROCHLORID
- Molecular formula
- C7H14N2O2
- Molecular weight
- 158.2
Names & synonyms
26315-24-21,3-DIETHYL PROPANEDIIMIDATERefChem:218516diethyl propanediimidate1,3-diethoxypropane-1,3-diimineNSC172611DiethylmalonimidateSCHEMBL9640608DTXSID901309539SBB080951AKOS000275781ST51063520
Show more names
1,3-diethyl propanedicarboximidatePropanediimidic acid, 1,3-diethyl esterMALONODIIMIDIC ACID DIETHYL ESTER HYDROCHLORID
Propanediimidic acid,diethyl ester, dihydrochloride (9CI)
Database identifiers
- CAS
26315-24-2- PubChem CID
- 73107
- DTXSID
DTXSID901309539- Nikkaji
- J412.056F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 41 °C · 41 °C(Press: 0.1 Torr)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 6.99 · 6.99±0.70(Predicted)
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Related reactions
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Compound notes
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