9,10-Anthracenedione, 1-((2-(diethylamino)ethyl)amino)-
Basic information
- CAS
28843-85-8- Standard SMILES
CCN(CC)CCNc1cccc2c1C(=O)c1ccccc1C2=O- InChIKey
NMTZJJDJFHSGFN-UHFFFAOYSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812795
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-((2-(diethylamino)ethyl)amino)-
- IUPAC
- 1-[2-(diethylamino)ethylamino]anthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1-((2-(diethylamino)ethyl)amino)-28843-85-8CHEMBL169652SCHEMBL93640801-((2-(Diethylamino)ethyl)amino)-9,10-anthracenedioneSCHEMBL31218598DTXSID801830421-{[2-(DIETHYLAMINO)ETHYL]AMINO}ANTHRACENE-9,10-DIONE
Database identifiers
- CAS
28843-85-8- PubChem CID
- 147292
- DTXSID
DTXSID80183042- ChEMBL
CHEMBL169652
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
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Related reactions
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Compound notes
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