Anthracene-9,10-dione, 1-amino-2-(octoxymethyl)-
Basic information
- CAS
56625-58-2- Standard SMILES
CCCCCCCCOCc1ccc2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
FFSRSZJTGHUGSQ-UHFFFAOYSA-N- Molecular formula
- C23H27NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.19909372
Names & identifiers
- Preferred name
- Anthracene-9,10-dione, 1-amino-2-(octoxymethyl)-
- IUPAC
- 1-amino-2-(octoxymethyl)anthracene-9,10-dione
Names & synonyms
Anthracene-9,10-dione, 1-amino-2-(octoxymethyl)-56625-58-21-A-2-(octoxymethyl)anthracene-9,10-dioneDTXSID102052011-Amino-2-[(octyloxy)methyl]anthracene-9,10-dione
Database identifiers
- CAS
56625-58-2- PubChem CID
- 41956
- DTXSID
DTXSID10205201- Nikkaji
- J1.619.268F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
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Compound notes
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