Basic information
- CAS
4521-23-7- Standard SMILES
Cc1ccc(CCCC(N)=O)cc1- InChIKey
WXWJWMCBXIZVGX-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 4-(4-Methylphenyl)butanamide
- IUPAC
- 4-(4-methylphenyl)butanamide
- English name
- BenzenebutanaMide, 4-Methyl-
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
4-(4-methylphenyl)butanamide4521-23-7NSC 406461NSC406461SCHEMBL661277DTXSID30324347NSC-4064614-(p-Tolyl)butanamideBenzenebutanaMide, 4-Methyl-
Database identifiers
- CAS
4521-23-7- PubChem CID
- 347671
- DTXSID
DTXSID30324347- Nikkaji
- J659.136A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 136.5 °C · 136.5 °C
- Boiling point
- 363.9 · 363.9±21.0 °C(Predicted)
- Density
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- pka
- 16.56 · 16.56±0.40(Predicted)
Chemistry & industry
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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