4-[(1-Methylpropoxy)methyl]pyridine
Basic information
- CAS
104338-30-9- Standard SMILES
CCC(C)OCc1ccncc1- InChIKey
SVGUUCYGQIGHSY-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 4-[(1-Methylpropoxy)methyl]pyridine
- IUPAC
- 4-(butan-2-yloxymethyl)pyridine
- English name
- 4-sec-butoxymethyl-pyridine
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
104338-30-9DTXSID5012923124-[(1-Methylpropoxy)methyl]pyridine4-{[(Butan-2-yl)oxy]methyl}pyridine4-sec-butoxymethyl-pyridinePyridine, 4-[(1-methylpropoxy)methyl]-
Database identifiers
- CAS
104338-30-9- PubChem CID
- 92043972
- DTXSID
DTXSID501292312
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 232.7 · 232.7±15.0 °C(Predicted)
- Density
- 0.962 · 0.962±0.06 g/cm3(Predicted)
- pka
- 5.06 · 5.06±0.10(Predicted)
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Compound notes
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