4-Butyramidophenyl acetate
Basic information
- CAS
40188-44-1- Standard SMILES
CCCC(=O)Nc1ccc(OC(C)=O)cc1- InChIKey
KHLKMHSYARAPHL-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 4-Butyramidophenyl acetate
- IUPAC
- [4-(butanoylamino)phenyl] acetate
- English name
- 4-Butyramidophenyl Acetate
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
4-Butyramidophenyl acetate40188-44-1[4-(butanoylamino)phenyl] acetateButanamide, N-(4-acetoxyphenyl)4-ButyramidophenylAcetateSCHEMBL313626024-BUTANAMIDOPHENYL ACETATEDTXSID90335737KHLKMHSYARAPHL-UHFFFAOYSA-NAKOS015890631Butanamide, N-[4-(acetyloxy)phenyl]-ACETIC ACID 4-BUTYRYLAMINO-PHENYL ESTER
Database identifiers
- CAS
40188-44-1- PubChem CID
- 526709
- DTXSID
DTXSID90335737
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 104 · 104-105 °C
- Boiling point
- 395.8 · 395.8±25.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.41 · 14.41±0.70(Predicted)
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Related reactions
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Compound notes
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