Basic information
- CAS
5431-79-8- Standard SMILES
CCN(CC)c1ccc(NC2=CC(=O)C(Nc3ccc(N(CC)CC)cc3)=CC2=O)cc1- InChIKey
TYOBLOXDFRGHSU-UHFFFAOYSA-N- Molecular formula
- C26H32N4O2
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.25252628
Names & identifiers
- Preferred name
- 2,5-Bis[4-(diethylamino)anilino]cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis[4-(diethylamino)anilino]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
5431-79-8NSC136382,5-bis[4-(diethylamino)anilino]cyclohexa-2,5-diene-1,4-dioneDTXSID90279662NSC-136382,5-Bis(4-(diethylamino)anilino)benzo-1,4-quinone2,5-bis[4-(diethylamino)anilino]-1,4-benzoquinone
Database identifiers
- CAS
5431-79-8- PubChem CID
- 224820
- DTXSID
DTXSID90279662
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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