N-Acetoxy-N-acetyl-2-aminofluorene
Basic information
- CAS
6098-44-8- Standard SMILES
CC(=O)ON(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2- InChIKey
NFOMHWALMFWNAQ-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Overview
N-acetoxy-2-acetamidofluorene is a 2-acetamidofluorene compound in which the parent 2-acetamidofluorene is substituted on nitrogen by an acetoxy group. It has a role as a mutagen and a carcinogenic agent.
Names & identifiers
- Preferred name
- N-Acetoxy-N-acetyl-2-aminofluorene
- IUPAC
- [acetyl(9H-fluoren-2-yl)amino] acetate
- English name
- Acetoxyacetylaminofluorene
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
ACETOXYACETYLAMINOFLUORENEN-Acetoxy-2-acetylaminofluorene6098-44-8NAAAFAcetoxyacetamidofluoreneN-Acetoxy-2-fluorenylacetamide2-AcetoxyacetylaminofluoreneN-Acetoxy-N-2-fluorenylacetamideAcetamide, N-(acetyloxy)-N-9H-fluoren-2-yl-N-Acetoxy-N-acetyl-2-aminofluoreneN-(Fluoren-2-yl)acetohydroxamic acetateN-Acetoxy-2-acetaminofluorene
Show more names
N-FLUOREN-2-YL-N-ACETOXY-2-ACETAMIDOFLUORENEN-ACETOXY-ACETYLAMINOFLUORENE2-(N-ACETOXYACETAMIDO)FLUORENE4-ACETOXY-2-ACETYLAMINOFLUORENEN-Acetoxy-2-acetylamino fluorene
N-(Fluoren-2-yl)acetohydroxamic acetamideAcetic acid, ester with N-(fluoren-2-yl)acetohydroxamic acidN-(Acetoxy)-N-9H-fluoren-2-ylacetamideAcetic acid, (N-acetyl-N-(2-fluorenyl)amino) esterDTXSID90209828AcetoxyfluorenylacetamideAcetic acid, [N-acetyl-N-(2-fluorenyl)amino] esterN Acetoxy 2 acetylaminofluorene
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 423.97 °C · 423.97°C (rough estimate)
- Density
- 1.1302 · 1.1302 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- Toxicity
- 1500 ng/plate · mma-sat 1500 ng/plate CBINA8 54,71,85
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mma-sat 1500 ng/plate CBINA8 54,71,85
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A 2-acetamidofluorene compound in which the parent 2-acetamidofluorene is substitued on nitrogen by an acetoxy group
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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