9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(methylphenylamino)ethyl)amino)-
Basic information
- CAS
70945-58-3- Standard SMILES
CN(CCNc1ccc(NCCN(C)c2ccccc2)c2c1C(=O)c1c(O)ccc(O)c1C2=O)c1ccccc1- InChIKey
JISSSUKHAKMIRY-UHFFFAOYSA-N- Molecular formula
- C32H32N4O4
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.24235551
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(methylphenylamino)ethyl)amino)-
- IUPAC
- 1,4-dihydroxy-5,8-bis[2-(N-methylanilino)ethylamino]anthracene-9,10-dione
- English name
- 1,4-Dihydroxy-5,8-bis((2-(methylphenylamino)ethyl)amino)-9,10-anthrace nedione
- Molecular formula
- C32H32N4O4
- Molecular weight
- 536.62
Names & synonyms
70945-58-31,4-Dihydroxy-5,8-bis((2-(methyl(phenyl)amino)ethyl)amino)anthracene-9,10-dione9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(methylphenylamino)ethyl)amino)-1,4-Dihydroxy-5,8-bis({2-[methyl(phenyl)amino]ethyl}amino)anthracene-9,10-dione1,4-Dihydroxy-5,8-bis((2-(methylphenylamino)ethyl)amino)-9,10-anthracenedioneCHEMBL3248534DTXSID602211781,4-Dihydroxy-5,8-bis((2-(methylphenylamino)ethyl)amino)-9,10-anthrace nedione9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[[2-(methylphenylamino)ethyl]amino]-
Database identifiers
- CAS
70945-58-3- PubChem CID
- 153180
- DTXSID
DTXSID60221178- ChEMBL
CHEMBL3248534
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 777
Physicochemical properties
- Melting point
- 200 · 200-202 °C
- Boiling point
- 817.8 · 817.8±65.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 7.12 · 7.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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