2-[[4-(Dimethylamino)phenyl]methyl]-1,4-dihydroxyanthracene-9,10-dione
Basic information
- CAS
25158-10-5- Standard SMILES
CN(C)c1ccc(Cc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1- InChIKey
XJJGTPWEJSPTIJ-UHFFFAOYSA-N- Molecular formula
- C23H19NO4
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.13140809
Names & identifiers
- Preferred name
- 2-[[4-(Dimethylamino)phenyl]methyl]-1,4-dihydroxyanthracene-9,10-dione
- IUPAC
- 2-[[4-(dimethylamino)phenyl]methyl]-1,4-dihydroxyanthracene-9,10-dione
Names & synonyms
NSC15337025158-10-5DTXSID40329742NSC-1533702-{[4-(Dimethylamino)phenyl]methyl}-1,4-dihydroxyanthracene-9,10-dione
Database identifiers
- CAS
25158-10-5- PubChem CID
- 423404
- DTXSID
DTXSID40329742
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 597
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Compound notes
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