Basic information
- CAS
53725-46-5- Standard SMILES
CCCCC1=CC(C)(C)N(C(=O)CN(CC)CC)C(C)(C)C1- InChIKey
PHQBGRRDAYJMCR-UHFFFAOYSA-N- Molecular formula
- C19H36N2O
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.28276378
Names & identifiers
- Preferred name
- 1-(4-Butyl-2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)-2-(diethylamino)ethan-1-one
- IUPAC
- 1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)-2-(diethylamino)ethanone
- English name
- 1,2,3,6-Tetrahydro-4-butyl-1-(N,N-diethylglycyl)-2,2,6,6-tetramethylpyridine
- Molecular formula
- C19H36N2O
- Molecular weight
- 308.5
Names & synonyms
53725-46-5DTXSID509684891-(4-Butyl-2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)-2-(diethylamino)ethan-1-oneRefChem:1054304DTXCID501396063BRN 1647570Pyridine, 4-butyl-1-(N,N-diethylglycyl)-1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-Pyridine, 1,2,3,6-tetrahydro-4-butyl-1-(N,N-diethylglycyl)-2,2,6,6-tetramethyl-1,2,3,6-Tetrahydro-4-butyl-1-(N,N-diethylglycyl)-2,2,6,6-tetramethylpyridineDB-322524Ethanone, 1-(4-butyl-3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridinyl)-2-(diethylamino)-
Database identifiers
- CAS
53725-46-5- PubChem CID
- 104584
- DTXSID
DTXSID50968489- Nikkaji
- J85.720C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 393.7 · 393.7±42.0 °C(Predicted)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- pka
- 8.87 · 8.87±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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