4,5-Di(propan-2-yl)-3,4-dihydropyridine
Basic information
- CAS
160732-95-6- Standard SMILES
CC(C)C1=CN=CCC1C(C)C- InChIKey
ULAFLODFFHAHCX-UHFFFAOYSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
Names & identifiers
- Preferred name
- 4,5-Di(propan-2-yl)-3,4-dihydropyridine
- IUPAC
- 4,5-di(propan-2-yl)-3,4-dihydropyridine
- English name
- Pyridine,3,4-dihydro-4,5-bis(1-methylethyl)-(9CI)
- Molecular formula
- C11H19N
- Molecular weight
- 165.28
Names & synonyms
160732-95-64,5-di(propan-2-yl)-3,4-dihydropyridinePyridine,3,4-dihydro-4,5-bis(1-methylethyl)-(9CI)Pyridine, 3,4-dihydro-4,5-bis(1-methylethyl)-
Database identifiers
- CAS
160732-95-6
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 237.6 · 237.6±23.0 °C(Predicted)
- Density
- 0.9 · 0.90±0.1 g/cm3(Predicted)
- pka
- 6.53 · 6.53±0.40(Predicted)
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