2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
16950-74-6- Standard SMILES
COC1=C(NCc2ccccc2)C(=O)C(OC)=C(NCc2ccccc2)C1=O- InChIKey
SZRUJTJWELGKFF-UHFFFAOYSA-N- Molecular formula
- C22H22N2O4
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.15795719
Names & identifiers
- Preferred name
- 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
16950-74-62,5-bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dioneNSC103403DTXSID30295629NSC-1034032,5-bis(benzylamino)-3,6-dimethoxy-1,4-benzoquinone
Database identifiers
- CAS
16950-74-6- PubChem CID
- 266183
- DTXSID
DTXSID30295629
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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