N-Butyl-2-phenoxy-propionamide
Basic information
- CAS
124371-67-1- Standard SMILES
CCCCNC(=O)C(C)Oc1ccccc1- InChIKey
VKLGBMPMXLSORW-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- N-Butyl-2-phenoxy-propionamide
- IUPAC
- N-butyl-2-phenoxypropanamide
- English name
- Propanamide, N-butyl-2-phenoxy-
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
AKOS005246196N-BUTYL-2-PHENOXY-PROPIONAMIDEPropanamide, N-butyl-2-phenoxy-
Database identifiers
- CAS
124371-67-1- PubChem CID
- 3571997
- EC Number
- 161-794-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 389.9 · 389.9±25.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 14.79 · 14.79±0.46(Predicted)
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Compound notes
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