Basic information
- CAS
6310-78-7- Standard SMILES
CC(=O)CC(C)=NCCCN=C(C)CC(C)=O- InChIKey
JZRFURRRYACETB-UHFFFAOYSA-N- Molecular formula
- C13H22N2O2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.16812795
Names & identifiers
- Preferred name
- 4-[3-(4-Oxopentan-2-ylideneamino)propylimino]pentan-2-one
- IUPAC
- 4-[3-(4-oxopentan-2-ylideneamino)propylimino]pentan-2-one
- English name
- 4-[3-(4-oxopentan-2-ylideneamino)propylimino]pentan-2-one
- Molecular formula
- C13H22N2O2
- Molecular weight
- 238.33
Names & synonyms
6310-78-7NSC43952NSC-439522-Pentanone, 4,4'-(1,3-propanediyldinitrilo)bis- (9CI)4-[3-(4-oxopentan-2-ylideneamino)propylimino]pentan-2-one
Database identifiers
- CAS
6310-78-7- PubChem CID
- 239146
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 51 °C · 51 °C
- Boiling point
- 357.9 · 357.9±37.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 7.06 · 7.06±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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