N-Propylacetanilide
Basic information
- CAS
2437-98-1- Standard SMILES
CCCN(C(C)=O)c1ccccc1- InChIKey
PREAZHGTUOIWRL-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- N-Propylacetanilide
- IUPAC
- N-phenyl-N-propylacetamide
- English name
- Acetyl-N-propylaniline
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
N-PropylacetanilideN-Phenyl-N-propylacetamideACETANILIDE, N-PROPYL-Acetamide, N-phenyl-N-propyl-NSC 4700O69TFQ5FM7BRN 2937367AI3-05524NSC-4700UNII-O69TFQ5FM7DTXSID301791174-12-00-00379 (Beilstein Handbook Reference)
Show more names
Acetyl-N-propylaniline
RefChem:164163DTXCID60101608Acetamide, N-phenyl-N-propyl-(9CI)2437-98-1N-phenyl-N-propyl-acetamideNSC4700Acetamide, N-phenyl-N-propyl- (9CI)aniline, N-acetyl-N-propyl-
Database identifiers
- CAS
2437-98-1- PubChem CID
- 17098
- DTXSID
DTXSID30179117- UNII
- O69TFQ5FM7
- Nikkaji
- J54.163J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 49 °C · 49°C
- Boiling point
- 309.18 °C · 309.18°C (rough estimate)
- Density
- 1.029 · 1.0290 (rough estimate)
- refractive index
- 1.5302 · 1.5302 (estimate)
- pka
- 0.54 · 0.54±0.50(Predicted)
- FDA UNII
- 69 TFQ5FM7 · O69TFQ5FM7
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Compound notes
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