N-(9-Hydroxy-9H-fluoren-2-yl)acetamide
Basic information
- CAS
57229-41-1- Standard SMILES
CC(=O)Nc1ccc2c(c1)C(O)c1ccccc1-2- InChIKey
AWIRWBJUFQZCLT-UHFFFAOYSA-N- Molecular formula
- C15H13NO2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.09462866
Names & identifiers
- Preferred name
- N-(9-Hydroxy-9H-fluoren-2-yl)acetamide
- IUPAC
- N-(9-hydroxy-9H-fluoren-2-yl)acetamide
- English name
- N-(9-Hydroxy-9H-fluoren-2-yl)acetamide
- Molecular formula
- C15H13NO2
- Molecular weight
- 239.27
Names & synonyms
N-(9-Hydroxy-9H-fluoren-2-yl)acetamide57229-41-12-Acetylamino-9-fluorenol9-Hydroxy-2-fluorenylacetamide9-HydroxyacetylaminofluoreneN-(9-Hydroxyfluoren-2-yl)acetamideCCRIS 7422ACETAMIDE, N-(9-HYDROXYFLUOREN-2-YL)-N-(9-Hydroxy-9H-fluoren-2-yl)-acetamideBRN 2738196CHEMBL303825Acetamide, N-(9-hydroxy-9H-fluoren-2-yl)-
Show more names
4-13-00-02241 (Beilstein Handbook Reference)NSC12397starbld00072299-hydroxy-2-acetylaminofluoreneSCHEMBL22321745SCHEMBL29539141AWIRWBJUFQZCLT-UHFFFAOYSA-NDTXSID501283157
Database identifiers
- CAS
57229-41-1- PubChem CID
- 42237
- DTXSID
DTXSID501283157- ChEMBL
CHEMBL303825- Nikkaji
- J74.894C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 381.93 °C · 381.93°C (rough estimate)
- Density
- 1.1198 · 1.1198 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
Chemistry & industry
Applications
UsesN-(9-Hydroxy-9H-fluoren-2-yl)-acetamide is a liver produced metabolite of the cancinogens 2-acetamidofluorene (A158535), which can be activated by liver homogenate and formed potent frameshift mutagens. It is used to study the mechanism of liver carcinogenesis and as a reference material during its identification or quantitation.
Upstream & downstream products
Upstream raw materials
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