2,5-Bis[(2,3-dimethylphenyl)amino]-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
16950-84-8- Standard SMILES
COC1=C(Nc2cccc(C)c2C)C(=O)C(OC)=C(Nc2cccc(C)c2C)C1=O- InChIKey
KUEKKYFASWTLSJ-UHFFFAOYSA-N- Molecular formula
- C24H26N2O4
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.18925731
Names & identifiers
- Preferred name
- 2,5-Bis[(2,3-dimethylphenyl)amino]-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis(2,3-dimethylanilino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
16950-84-8NSC1034122,5-bis[(2,3-dimethylphenyl)amino]-3,6-dimethoxycyclohexa-2,5-diene-1,4-dioneDTXSID002956362,5-bis(2,3-dimethylanilino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dioneNSC-1034122,5-Cyclohexadiene-1,4-dione,2,5-bis[(2,3-dimethylphenyl)amino]-3,6-dimethoxy-DS-003675
Database identifiers
- CAS
16950-84-8- PubChem CID
- 266192
- DTXSID
DTXSID00295636
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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