Basic information
- CAS
19853-97-5- Standard SMILES
CCNCCNc1ccc(NCCNCC)c2c1C(=O)c1ccccc1C2=O- InChIKey
MHUNHBNDEOFKCV-UHFFFAOYSA-N- Molecular formula
- C22H28N4O2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.22122615
Names & identifiers
- Preferred name
- 1,4-Bis((2-(ethylamino)ethyl)amino)-9,10-anthracenedione
- IUPAC
- 1,4-bis[2-(ethylamino)ethylamino]anthracene-9,10-dione
Names & synonyms
19853-97-5VD3L9JSC91UNII-VD3L9JSC91NSC 276740NSC-276740DTXSID801736051,4-Bis((2-(ethylamino)ethyl)amino)-9,10-anthracenedione9,10-Anthracenedione, 1,4-bis((2-(ethylamino)ethyl)amino)-ANTHRAQUINONE, 1,4-BIS((2-(ETHYLAMINO)ETHYL)AMINO)-1,4-Bis[[2-(ethylamino)ethyl]amino]-9,10-anthracenedioneRefChem:196810DTXCID7096096
Show more names
9,10-Anthracenedione, 1,4-bis((2-(ethylamino)ethyl)amino)-(9CI)NSC276740CHEMBL3249115SCHEMBL109466699,10-Anthracenedione, 1,4-bis((2-(ethylamino)ethyl)amino)- (9CI)9, 1,4-bis[[2-(ethylamino)ethyl]amino]-1,4-Bis{[2-(ethylamino)ethyl]amino}anthracene-9,10-dione
Database identifiers
- CAS
19853-97-5- PubChem CID
- 100256
- DTXSID
DTXSID80173605- ChEMBL
CHEMBL3249115- UNII
- VD3L9JSC91
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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