Basic information
- CAS
121211-13-0- Standard SMILES
Cl.O=C1c2cccc(O)c2C(=O)c2c(O)cc(CN(CCO)CCO)cc21- InChIKey
BAKBESLWUBPMDS-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO6
- Average molar mass
- 393.8 g/mol
- Monoisotopic mass
- 393.0979151
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 3-((bis(2-hydroxyethyl)amino)methyl)-1,8-dihydroxy-, hydrochloride (1:1)
- IUPAC
- 3-[[bis(2-hydroxyethyl)amino]methyl]-1,8-dihydroxyanthracene-9,10-dione;hydrochloride
Names & synonyms
9,10-Anthracenedione, 3-((bis(2-hydroxyethyl)amino)methyl)-1,8-dihydroxy-, hydrochloride (1:1)121211-13-0SK 31660DTXSID801531843-{[Bis(2-hydroxyethyl)amino]methyl}-1,8-dihydroxyanthracene-9,10-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
121211-13-0- PubChem CID
- 147666
- DTXSID
DTXSID80153184
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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