9-Phenanthrylacetamide
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Basic information
- CAS
4235-09-0- Standard SMILES
CC(=O)Nc1cc2ccccc2c2ccccc12- InChIKey
WFBZMYPAVBCTCU-UHFFFAOYSA-N- Molecular formula
- C16H13NO
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.09971404
Names & identifiers
- Preferred name
- 9-Phenanthrylacetamide
- IUPAC
- N-phenanthren-9-ylacetamide
- English name
- N-(9-PHENANTHRYL)ACETAMIDE
- Molecular formula
- C16H13NO
- Molecular weight
- 235.28052
Names & synonyms
9-Phenanthrylacetamide9-Acetamidophenanthrene9-Acetaminophenanthrene9-AcetylaminophenanthreneN-9-PhenanthrylacetamideN-phenanthren-9-ylacetamideAcetamide, N-9-phenanthrenyl-4235-09-0ACETAMIDE, N-9-PHENANTHRYL-N-9-PhenanthrenylacetamideWXJ4SDN24ENSC 402877
Show more names
N-(9-PHENANTHRYL)ACETAMIDEN-(Phenanthren-9-yl)acetamide
BRN 2939891NSC-402877DTXSID001951624-12-00-03443 (Beilstein Handbook Reference)RefChem:108178CHEMBL-84467DTXCID10117653Acetamide, N-9-phenanthrenyl-(9CI)
Database identifiers
- CAS
4235-09-0- PubChem CID
- 20227
- DTXSID
DTXSID00195162- ChEMBL
CHEMBL84467- UNII
- WXJ4SDN24E
- Nikkaji
- J33.435I
Properties
Computed structural propertiesFilling in
- 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)
- FDA UNII
- 4 SDN24E · WXJ4SDN24E
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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