N-hydroxy-2-acetylaminophenanthrene
Basic information
- CAS
2438-51-9- Standard SMILES
CC(=O)N(O)c1ccc2c(ccc3ccccc32)c1- InChIKey
WRPWMYJHLMNVFA-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Overview
structure
Names & identifiers
- Preferred name
- N-hydroxy-2-acetylaminophenanthrene
- IUPAC
- N-hydroxy-N-phenanthren-2-ylacetamide
- English name
- N-Hydroxy-2-(acetylamino)phenanthrene
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.28
Names & synonyms
N-Hydroxy-2-acetylaminophenanthrene2438-51-9N-Hydroxy-N-2-phenanthrenylacetamide2-(N-Hydroxyacetamido)phenanthreneAcetamide, N-hydroxy-N-2-phenanthrenyl-N46WJC47NMN-hydroxy-2-acetamidophenanthreneDTXSID00179129RefChem:163479DTXCID80101620N-Hydroxy-2-(acetylamino)phenanthreneCCRIS 1064
Show more names
N-(2-Phenanthrenyl)acetohydroxamic acid
2-Phenanthrylacethydroxamic acidN-2-Phenanthrylacetohydroxamic acidBRN 2739672ACETOHYDROXAMIC ACID, N-2-PHENANTHRYL-N-Hydroxy- N-2-phenanthrenylacetamideN-HYDROXY-N-(PHENANTHREN-2-YL)ACETAMIDECHEMBL85016SCHEMBL3347244
Database identifiers
- CAS
2438-51-9- PubChem CID
- 17102
- DTXSID
DTXSID00179129- ChEMBL
CHEMBL85016- UNII
- N46WJC47NM
- Nikkaji
- J2.155E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 394.44 °C · 394.44°C (rough estimate)
- Density
- 1.1169 · 1.1169 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 8.71 · 8.71±0.70(Predicted)
- FDA UNII
- 46 WJC47NM · N46WJC47NM
- Toxicity
- 10 g/L · oms-bcs 10 g/L 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
- oms-bcs 10 g/L CNREA8 30,1473,70
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Compound notes
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