Pyridine, 1,2,3,6-tetrahydro-4-butyl-1-((1-pyrrolidinyl)acetyl)-2,2,6,6-tetramethyl-
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Basic information
- CAS
53725-47-6- Standard SMILES
CCCCC1=CC(C)(C)N(C(=O)CN2CCCC2)C(C)(C)C1- InChIKey
ZUJCXSRZZWIJLY-UHFFFAOYSA-N- Molecular formula
- C19H34N2O
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.26711371
Names & identifiers
- Preferred name
- Pyridine, 1,2,3,6-tetrahydro-4-butyl-1-((1-pyrrolidinyl)acetyl)-2,2,6,6-tetramethyl-
- IUPAC
- 1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)-2-pyrrolidin-1-ylethanone
- English name
- 1,2,3,6-Tetrahydro-4-butyl-1-(1-pyrrolidinylacetyl)-2,2,6,6-tetramethylpyridine
- Molecular formula
- C19H34N2O
- Molecular weight
- 306.49
Names & synonyms
BRN 1649354Pyridine, 1,2,3,6-tetrahydro-4-butyl-1-((1-pyrrolidinyl)acetyl)-2,2,6,6-tetramethyl-53725-47-6DTXSID80201997Pyridine, 4-butyl-1-((1-pyrrolidinyl)acetyl)-1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-RefChem:376451DTXCID101244881-(4-Butyl-2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)-2-(pyrrolidin-1-yl)ethan-1-one1,2,3,6-Tetrahydro-4-butyl-1-(1-pyrrolidinylacetyl)-2,2,6,6-tetramethylpyridineEthanone, 1-(4-butyl-3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridinyl)-2-(1-pyrrolidinyl)-
Database identifiers
- CAS
53725-47-6- PubChem CID
- 104585
- DTXSID
DTXSID80201997- Nikkaji
- J85.724F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 404.1 · 404.1±45.0 °C(Predicted)
- Density
- 0.948 · 0.948±0.06 g/cm3(Predicted)
- pka
- 8.89 · 8.89±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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