Basic information
- CAS
5827-73-6- Standard SMILES
CCC(=O)NC(C)CC- InChIKey
YWXTWKJVVCXINH-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- N-(Butan-2-yl)propanamide
- IUPAC
- N-butan-2-ylpropanamide
- English name
- N-(2-BUTYL)PROPANAMIDE
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
N-(butan-2-yl)propanamide5827-73-6DTXSID30404138RefChem:362619DTXCID80354992N-(2-BUTYL)PROPANAMIDEpropionic acid N-s-butylamideSCHEMBL875553SCHEMBL5209100SCHEMBL8437464AKOS003799310DB-308479
Show more names
Propanamide, N-(1-methylpropyl)-
Database identifiers
- CAS
5827-73-6- PubChem CID
- 4548383
- DTXSID
DTXSID30404138
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.9
Physicochemical properties
- Melting point
- 25 · 25-27 °C
- Boiling point
- 116 · 116-117 °C(Press: 11 Torr)
- Density
- 0.859 · 0.859±0.06 g/cm3(Predicted)
- pka
- 16.63 · 16.63±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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