9,10-Anthracenedione, 1-((4-aminobutyl)amino)-
Basic information
- CAS
87075-41-0- Standard SMILES
NCCCCNc1cccc2c1C(=O)c1ccccc1C2=O- InChIKey
IPTXXHDVZIXYPK-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-((4-aminobutyl)amino)-
- IUPAC
- 1-(4-aminobutylamino)anthracene-9,10-dione
Names & synonyms
BRN 42618419,10-Anthracenedione, 1-((4-aminobutyl)amino)-1-((4-Aminobutyl)amino)-9,10-anthracenedione87075-41-0DTXSID90236114RefChem:312491DTXCID90158605CHEMBL134948SCHEMBL86020721-[(4-Aminobutyl)amino]anthracene-9,10-dione
Database identifiers
- CAS
87075-41-0- PubChem CID
- 3070902
- DTXSID
DTXSID90236114- ChEMBL
CHEMBL134948- Nikkaji
- J457.146K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
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Compound notes
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