2-Undecylpyridine
Basic information
- CAS
80401-50-9- Standard SMILES
CCCCCCCCCCCc1ccccn1- InChIKey
XECXIPYCNRARGM-UHFFFAOYSA-N- Molecular formula
- C16H27N
- Average molar mass
- 233.39 g/mol
- Monoisotopic mass
- 233.21434987
Names & identifiers
- Preferred name
- 2-Undecylpyridine
- IUPAC
- 2-undecylpyridine
- English name
- 2-Undecylpyridine
- Molecular formula
- C16H27N
- Molecular weight
- 233.39
Names & synonyms
2-Undecylpyridine80401-50-9Pyridine, 2-undecyl-DTXSID30340426RefChem:267433DTXCID50291507XECXIPYCNRARGM-UHFFFAOYSA-N2-n-undecylpyridine2-Undecylpyridine #SCHEMBL920310
Database identifiers
- CAS
80401-50-9- PubChem CID
- 564640
- DTXSID
DTXSID30340426- Nikkaji
- J566.351B
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 130 · 130-132 °C(Press: 1 Torr)
- Density
- 0.883 · 0.883±0.06 g/cm3(Predicted)
- pka
- 5.92 · 5.92±0.12(Predicted)
Related reactions
2 records
Compound notes
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