1-Amino-2-(2-anilinoethoxy)-4-hydroxyanthracene-9,10-dione
Basic information
- CAS
55880-03-0- Standard SMILES
Nc1c(OCCNc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
ATUCJTYOKYDSAH-UHFFFAOYSA-N- Molecular formula
- C22H18N2O4
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.12665706
Names & identifiers
- Preferred name
- 1-Amino-2-(2-anilinoethoxy)-4-hydroxyanthracene-9,10-dione
- IUPAC
- 1-amino-2-(2-anilinoethoxy)-4-hydroxyanthracene-9,10-dione
Names & synonyms
55880-03-01-Amino-4-hydroxy-2-(2-(phenylamino)ethoxy)anthracene-9,10-dione1-Amino-2-(2-anilinoethoxy)-4-hydroxyanthracene-9,10-dioneSCHEMBL10807383DTXSID00603398
Database identifiers
- CAS
55880-03-0- PubChem CID
- 20194293
- DTXSID
DTXSID00603398
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
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Compound notes
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