4,5-Diamino-2,7-dibutoxy-1,8-dihydroxyanthracene-9,10-dione
Basic information
- CAS
88602-44-2- Standard SMILES
CCCCOc1cc(N)c2c(c1O)C(=O)c1c(O)c(OCCCC)cc(N)c1C2=O- InChIKey
FVHSSOPMZLODAA-UHFFFAOYSA-N- Molecular formula
- C22H26N2O6
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.17908655
Names & identifiers
- Preferred name
- 4,5-Diamino-2,7-dibutoxy-1,8-dihydroxyanthracene-9,10-dione
- IUPAC
- 4,5-diamino-2,7-dibutoxy-1,8-dihydroxyanthracene-9,10-dione
Names & synonyms
88602-44-2SCHEMBL10783309DTXSID10603329FVHSSOPMZLODAA-UHFFFAOYSA-N4,5-Diamino-2,7-dibutoxy-1,8-dihydroxyanthracene-9,10-dione1,8-diamino-4,5-dihydroxy-3,6-di-n-butoxyanthraquinone
Database identifiers
- CAS
88602-44-2- PubChem CID
- 20188045
- DTXSID
DTXSID10603329
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 568
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Related reactions
1 records
Compound notes
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