Basic information
- CAS
29141-71-7- Standard SMILES
CCC(CC)(C(N)=O)C(N)=O- InChIKey
IYZYMNZTUFOYHR-UHFFFAOYSA-N- Molecular formula
- C7H14N2O2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.10552769
Names & identifiers
- Preferred name
- 2,2-Diethylpropanediamide
- IUPAC
- 2,2-diethylpropanediamide
- English name
- Pentane-3,3-dicarboxamide
- Molecular formula
- C7H14N2O2
- Molecular weight
- 158.2
Names & synonyms
2,2-DiethylmalonamideMalonamide, 2,2-diethyl-Propanediamide, 2,2-diethyl-NIOSH/ON91550002661 L29141-71-7ON915500002,2-diethylpropanediamideDiathylmalonamidSCHEMBL3084004DTXSID40305783NSC171668
Show more names
DiethylmalonamidePentane-3,3-dicarboxamide
NSC-171668
Database identifiers
- CAS
29141-71-7- PubChem CID
- 299199
- DTXSID
DTXSID40305783- Nikkaji
- J127.796K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 224 °C · 224 °C(Solvent: Water)
- Boiling point
- 379.715 · 379.715±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.445 · 15.445±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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