Basic information
- CAS
70945-56-1- Standard SMILES
CC(C)N(CCNc1ccc(NCCN(C(C)C)C(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O)C(C)C- InChIKey
KFWFSXJAESYATH-UHFFFAOYSA-N- Molecular formula
- C30H44N4O4
- Average molar mass
- 524.7 g/mol
- Monoisotopic mass
- 524.3362559
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-bis((2-(bis(1-methylethyl)amino)ethyl)amino)-5,8-dihydroxy-
- IUPAC
- 1,4-bis[2-[di(propan-2-yl)amino]ethylamino]-5,8-dihydroxyanthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1,4-bis((2-(bis(1-methylethyl)amino)ethyl)amino)-5,8-dihydroxy-70945-56-11,4-Bis((2-(bis(1-methylethyl)amino)ethyl)amino)-5,8-dihydroxy-9,10-anthracenedioneCHEMBL3248532DTXSID402211761,4-Bis({2-[di(propan-2-yl)amino]ethyl}amino)-5,8-dihydroxyanthracene-9,10-dione
Database identifiers
- CAS
70945-56-1- PubChem CID
- 153178
- DTXSID
DTXSID40221176- ChEMBL
CHEMBL3248532
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…