Basic information
- CAS
26541-57-1- Standard SMILES
CC(=O)ON(C(C)=O)c1ccc2c(ccc3ccccc32)c1- InChIKey
PBUJMRDTXSUQHF-UHFFFAOYSA-N- Molecular formula
- C18H15NO3
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.10519334
Names & identifiers
- Preferred name
- N-Acetoxy-N-2-acetylaminophenanthrene
- IUPAC
- [acetyl(phenanthren-2-yl)amino] acetate
- English name
- 2-(N-Acetyloxy-N-acetylamino)phenanthrene
- Molecular formula
- C18H15NO3
- Molecular weight
- 293.32
Names & synonyms
N-Acetoxy-N-2-acetylaminophenanthrene26541-57-1DTXSID90181115RefChem:162515DTXCID00103606N-Acetoxy-2-acetylaminophenanthreneN-Acetoxy-4-phenanthrylacetamideN-Acetoxy-2-acetamidophenanthreneBRN 2755745[acetyl(phenanthren-2-yl)amino] acetateN-(2-Phenanthryl)acetohydroxamic acetateN-(Acetyloxy)-N-2-phenanthrenylacetamide
Show more names
N-Acetoxy-N-(2-phenanthrenyl)acetamide2-(N-Acetyloxy-N-acetylamino)phenanthrene
Acetamide, N-(acetyloxy)-N-2-phenanthrenyl-Acetic acid, ester with N-(2-phenanthryl)acetohydroxamic acidHydroxylamine, N,O-diacetyl-N-(2-phenanthryl)-Acetohydroxamic acid, N-(2-phenanthryl)-, acetateSCHEMBL3344946ACETIC ACID, (N-ACETYL-N-(2-PHENANTHRYL)AMINO) ESTERN-(acetyloxy)-N-(phenanthren-2-yl)acetamide
Database identifiers
- CAS
26541-57-1- PubChem CID
- 33536
- DTXSID
DTXSID90181115- Nikkaji
- J3.164J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 435.17 °C · 435.17°C (rough estimate)
- Density
- 1.2278 · 1.2278 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- Toxicity
- 14 mol · mmo-bcs 14 mol CNREA8 30,1473,70
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
- mmo-bcs 14 mol CNREA8 30,1473,70
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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