Basic information
- CAS
13211-00-2- Standard SMILES
CCCC(=O)c1ccc(NC(C)=O)cc1- InChIKey
NYUNVUICRAJDLH-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- N-(4-Butyrylphenyl)acetamide
- IUPAC
- N-(4-butanoylphenyl)acetamide
- English name
- N-(4-butyrylphenyl)acetamide
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
N-(4-BUTYRYLPHENYL)ACETAMIDE13211-00-2DTXSID10401746RefChem:361819DTXCID90352601N-(4-butanoylphenyl)acetamidep-AcetaminobutyrophenoneN-(4-butyryl-phenyl)acetamideSCHEMBL6687580NYUNVUICRAJDLH-UHFFFAOYSA-NAKOS009339373Acetamide, N-[4-(1-oxobutyl)phenyl]-
Database identifiers
- CAS
13211-00-2- PubChem CID
- 4304236
- DTXSID
DTXSID10401746- EC Number
- 126-829-9
- Nikkaji
- J2.943.711D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 142 °C · 142 °C(Solv: water (7732-18-5))
- Boiling point
- 406.1 · 406.1±28.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.70(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
南京汉海征程医药科技有限公司15850673134 · [email protected]
Related reactions
9 records
Compound notes
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