Basic information
- CAS
4120-77-8- Standard SMILES
CC(=O)Nc1ccc2c(ccc3ccccc32)c1- InChIKey
NOEOUKDLTDMGKA-UHFFFAOYSA-N- Molecular formula
- C16H13NO
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.09971404
Names & identifiers
- Preferred name
- N-2-Phenanthrenylacetamide
- IUPAC
- N-phenanthren-2-ylacetamide
- English name
- N-phenanthren-2-ylacetamide
- Molecular formula
- C16H13NO
- Molecular weight
- 235.28
Names & synonyms
2-Acetamidophenanthrene2-Acetylaminophenanthrene4120-77-8Acetamide, N-2-phenanthrenyl-N-2-PhenanthrenylacetamideDRH69BZ6XDNSC-141592DTXSID70194122RefChem:84945DTXCID801166132-AcetaminophenanthreneN-phenanthren-2-ylacetamide
Show more names
N-Phenanthren-3-yl-acetaMide
ACETAMIDE, N-2-PHENANTHRYL-N-2-PhenanthrylacetamideNSC 141592BRN 2727712Acetamide,N-2-phenanthrenyl-CCRIS 8556N-(PHENANTHREN-2-YL)ACETAMIDE(2-Phenanthryl)acetamide
Database identifiers
- CAS
4120-77-8- PubChem CID
- 20072
- DTXSID
DTXSID70194122- ChEMBL
CHEMBL313966- UNII
- DRH69BZ6XD
- Nikkaji
- J2.207A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 377.68 °C · 377.68°C (rough estimate)
- Density
- 1.0711 · 1.0711 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Toxicity
- 1 mmol/L · dnr-ham:fbr 1 mmol/L JNCIAM 54,1287,75
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
- dnr-ham:fbr 1 mmol/L JNCIAM 54,1287,75
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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