1-Amino-2-propoxymethyl-9,10-anthracenedione
Basic information
- CAS
56594-29-7- Standard SMILES
CCCOCc1ccc2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
SOAXFWVCIDNOAV-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- 1-Amino-2-propoxymethyl-9,10-anthracenedione
- IUPAC
- 1-amino-2-(propoxymethyl)anthracene-9,10-dione
Names & synonyms
1-AMINO-2-PROPOXYMETHYL-9,10-ANTHRACENEDIONE56594-29-71-amino-2-(propoxymethyl)anthracene-9,10-dioneDTXSID90205148
Database identifiers
- CAS
56594-29-7- PubChem CID
- 41934
- DTXSID
DTXSID90205148- Nikkaji
- J1.619.260K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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