Basic information
- CAS
86302-54-7- Standard SMILES
CCCCCCCCNc1ccc(NCCCCCCCC)c2c1C(=O)c1ccccc1C2=O- InChIKey
KMXFRCYPNDOWHZ-UHFFFAOYSA-N- Molecular formula
- C30H42N2O2
- Average molar mass
- 462.7 g/mol
- Monoisotopic mass
- 462.32462859
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-bis(octylamino)-
- IUPAC
- 1,4-bis(octylamino)anthracene-9,10-dione
Names & synonyms
1,4-bis(octylamino)anthracene-9,10-dione86302-54-79,10-Anthracenedione, 1,4-bis(octylamino)-SCHEMBL7855739KMXFRCYPNDOWHZ-UHFFFAOYSA-NDTXSID8012770141,4-Bis(octylamino)-9,10-anthracenedione1,4-Bis(octylamino)anthra-9,10-quinone #
Database identifiers
- CAS
86302-54-7- PubChem CID
- 635252
- DTXSID
DTXSID801277014- EC Number
- 617-828-9
- Nikkaji
- J219.736G
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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