4-Benzamidooxybutyl acetate
Basic information
- CAS
124617-84-1- Standard SMILES
CC(=O)OCCCCONC(=O)c1ccccc1- InChIKey
AXCQIIQRZAOFSR-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 4-Benzamidooxybutyl acetate
- IUPAC
- 4-benzamidooxybutyl acetate
- English name
- N-Acetoxy-N-butoxybenzamide
- Molecular formula
- C13H17NO4
- Molecular weight
- 251.28
Names & synonyms
124617-84-14-benzamidooxybutyl acetateCCRIS 5333N-Acetoxy-N-butoxybenzamideAcetic acid,benzoylbutoxyazanyl esterDTXSID90924882N-(ACETYLOXY)-N-BUTOXYBENZAMIDEN-[4-(Acetyloxy)butoxy]benzenecarboximidic acidN-Butoxy-N-acetoxybenzamideAcetic acid, benzoylbutoxyazanyl ester
Database identifiers
- CAS
124617-84-1- PubChem CID
- 154236
- DTXSID
DTXSID90924882
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 323.422 · 323.422±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.76 · 4.76
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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