Basic information
- CAS
121211-17-4- Standard SMILES
Cl.O=C1c2cccc(O)c2C(=O)c2c(O)cc(CNCCO)cc21- InChIKey
UANLLOZFEHEITH-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO5
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0717003
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,8-dihydroxy-3-(((2-hydroxyethyl)amino]methyl)-, hydrochloride (1:1)
- IUPAC
- 1,8-dihydroxy-3-[(2-hydroxyethylamino)methyl]anthracene-9,10-dione;hydrochloride
Names & synonyms
9,10-Anthracenedione, 1,8-dihydroxy-3-(((2-hydroxyethyl)amino]methyl)-, hydrochloride (1:1)121211-17-4SK 31694DTXSID001531861,8-dihydroxy-3-[(2-hydroxyethylamino)methyl]anthracene-9,10-dione;hydrochloride1,8-Dihydroxy-3-{[(2-hydroxyethyl)amino]methyl}anthracene-9,10-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
121211-17-4- PubChem CID
- 147669
- DTXSID
DTXSID00153186
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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