Basic information
- CAS
15879-39-7- Standard SMILES
CC(C)C(=O)NC1CCCCO1- InChIKey
DPGJFJZVDUYVKE-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- Isobutyramide, N-tetrahydro-2-pyranyl-
- IUPAC
- 2-methyl-N-(oxan-2-yl)propanamide
- English name
- Isobutyramide, N-tetrahydro-2-pyranyl-
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
Isobutyramide, N-tetrahydro-2-pyranyl-15879-39-72-methyl-N-(oxan-2-yl)propanamideDTXSID90935993Isobutyramide, N-tetrahydro-2-pyranyl-,2-Methyl-N-(oxan-2-yl)propanimidic acidPropanamide, 2-methyl-N-(tetrahydro-2H-pyran-2-yl)-
Database identifiers
- CAS
15879-39-7- PubChem CID
- 139999
- DTXSID
DTXSID90935993
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 111 °C · 111 °C
- Boiling point
- 330.2 · 330.2±31.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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