Basic information
- CAS
70945-50-5- Standard SMILES
Cl.Cl.O=C1c2ccccc2C(=O)c2c(NCCN(CCO)CCO)ccc(NCCN(CCO)CCO)c21- InChIKey
KPYYMBOMJWMMHW-UHFFFAOYSA-N- Molecular formula
- C26H38Cl2N4O6
- Average molar mass
- 573.5 g/mol
- Monoisotopic mass
- 572.2168403
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-bis((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-, dihydrochloride
- IUPAC
- 1,4-bis[2-[bis(2-hydroxyethyl)amino]ethylamino]anthracene-9,10-dione;dihydrochloride
Names & synonyms
9,10-Anthracenedione, 1,4-bis((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-, dihydrochloride70945-50-51,4-Bis((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-9,10-anthracenedione dihydrochlorideDTXSID802211701,4-Bis({2-[bis(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione--hydrogen chloride (1/2)
Database identifiers
- CAS
70945-50-5- PubChem CID
- 153174
- DTXSID
DTXSID80221170
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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