N-9H-Fluoren-3-ylacetamide
Basic information
- CAS
6292-55-3- Standard SMILES
CC(=O)Nc1ccc2c(c1)-c1ccccc1C2- InChIKey
WIGMLEPKVNVQSQ-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Overview
non-carcinogenic structural isomer of carcinogen N-2-fluorenylacetamide
Names & identifiers
- Preferred name
- N-9H-Fluoren-3-ylacetamide
- IUPAC
- N-(9H-fluoren-3-yl)acetamide
- English name
- 3-acetylaminofluorene
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
N-3-Fluorenylacetamide3-AcetylaminofluoreneN-Acetyl-3-aminofluoreneAcetamide, N-9H-fluoren-3-yl-ACETAMIDE, N-FLUOREN-3-YL-6292-55-3N-9H-Fluoren-3-ylacetamide4P9MD74D4TNSC-9865DTXSID40212125RefChem:92820DTXCID40134616
Show more names
3-AAF3-Acetylamino-9H-fluorene
Acetamide, N-3-fluorenyl-3-FluorenylacetamideN-(9H-fluoren-3-yl)acetamideNSC 9865BRN 2114187UNII-4P9MD74D4T4-12-00-03388 (Beilstein Handbook Reference)CHEMBL84313
Database identifiers
- CAS
6292-55-3- PubChem CID
- 22722
- DTXSID
DTXSID40212125- ChEMBL
CHEMBL84313- UNII
- 4P9MD74D4T
- Nikkaji
- J8.377A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 189 · 189-190 °C
- Boiling point
- 364.56 °C · 364.56°C (rough estimate)
- Density
- 1.0707 · 1.0707 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 14.94 · 14.94±0.20(Predicted)
- FDA UNII
- 4 P9MD74D4T · 4P9MD74D4T
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Compound notes
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