1,4,5,8-Tetraamino-2,7-dibutoxyanthracene-9,10-dione
Basic information
- CAS
88601-63-2- Standard SMILES
CCCCOc1cc(N)c2c(c1N)C(=O)c1c(N)c(OCCCC)cc(N)c1C2=O- InChIKey
LANPHVPGKCIFLN-UHFFFAOYSA-N- Molecular formula
- C22H28N4O4
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.21105539
Names & identifiers
- Preferred name
- 1,4,5,8-Tetraamino-2,7-dibutoxyanthracene-9,10-dione
- IUPAC
- 1,4,5,8-tetraamino-2,7-dibutoxyanthracene-9,10-dione
Names & synonyms
88601-63-21,4,5,8-Tetraamino-2,7-dibutoxyanthracene-9,10-dioneSCHEMBL10602843DTXSID60603319
Database identifiers
- CAS
88601-63-2- PubChem CID
- 20188030
- DTXSID
DTXSID60603319
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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